0 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.1 BrCCOC1=CC=C(Br)C=C1 BB17-1661 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.1 CC1=CC=C(NCCO)C=C1 BB17-0653 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.1 CC1=CC=C(SCCN)C=C1 BB53-1425 [0,1,0,0,0,0|1,1,0]=3 10 B11R1.1 ClC1=CC=C(OCCBr)C=C1 BB17-1649 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.1 NCCOC1=CC=C(N)C=C1 BB53-1635 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.1 NCCSC1=CC=C(Cl)C=C1 BB56-2705 [0,1,0,0,0,0|1,1,0]=3 13 B11R1.1 OCCNC1=CC=C(Cl)C=C1 BB17-0633 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.16 CN(CCN)C1=CC=CC=C1 BB56-2834 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.17 ClC1=C(OCCBr)C=CC=C1 BB17-1653 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.24 CC1=CC=CC(OCCBr)=C1 BB17-1659 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.24 CCCOC1=CC=NC(S)=N1 BB53-1607 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.28 C=CCNCC1=CC=CC=C1 BB20-4594 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [0,1,0,0,0,0|1,1,0]=3 22 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 BB12-1495 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,1,0,0,0,0|1,1,1]=4 27 B11R1.91 CC(N)\C=C\C1=CC=CC=C1 BB12-1707 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [0,1,0,0,0,0|0,1,1]=3 29 B11R1.91 NC(=S)COC1=CC=CN=C1 BB20-4557 [0,1,0,0,0,0|1,1,1]=4 30 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.1 O\N=C\C1=CC=C(F)C=C1 BB12-1509 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.4 CC1=CC=CC=C1CCN BB12-2271 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.4 CCNC1=CC=CC=C1N BB12-3022 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.10 CC1=CC(\C=N\O)=CC=C1 BB20-3238 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.10 CNCC1=CC(O)=CC=C1 BB12-1357 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [1,1,0,0,0,0|0,0,2]=4 40 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.1 COCCNC1=CC=C(N)C=C1 BB17-2677 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 BB17-1667 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [0,2,0,0,0,0|0,0,2]=4 49 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [0,2,0,0,0,0|0,0,1]=3 50 B12R1.69 CC1=C(NCCO)C=CC(Cl)=C1 BB17-0654 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.69 CCCNC1=CC=C(C)C=C1Cl BB01-7301 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.71 CCCCC1=CC=C(NN)C=C1 BB56-0060 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.385 CC1=C(Cl)C=CC(OCCBr)=C1 BB17-1658 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.30 CN(CCCN)C1=CC=CC=C1 BB01-5316 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.121 C#CCOC1=C(C=O)C=CC=C1 BB17-1435 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.125 CC1=CC=CC=C1NCC(=O)O BB12-2586 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.125 CC1=CC=CC=C1OCC(=O)O BB01-6379 [0,2,0,0,0,0|0,0,1]=3 59 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [0,2,0,0,0,0|0,0,1]=3 60 B12R1.267 CNCCNC1=C(C)C=CC=C1 BB12-1636 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.374 CC1=CC(OCCBr)=C(C)C=C1 BB17-1655 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.374 CCCNC1=CC(F)=CC=C1F BB01-7300 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.1631 CC1=CC=CC(C)=C1OCCBr BB17-1656 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.27 NNC(=O)COC1=CC=CC=C1 BB12-2509 [0,2,0,0,0,0|0,0,2]=4 67 B12R1.252 O=C(O)COCC1=CC=CC=C1 BB01-5008 [0,2,0,0,0,0|0,0,1]=3 68 B12R2.24 S=C1COC2=CC=CC=C2N1 BB10-0259 [0,1,0,1,0,0|0,1,1]=4 69 B12R2.2 C1=CC=C(C2CCCN2)C=C1 BB01-4666 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.612 O=C1COC2=CC(O)=CC=C12 BB26-0144 [0,1,0,1,0,0|0,0,2]=4 71 B12R2.1 O\N=C1/COC2=CC=CC=C21 BB12-2095 [0,1,0,1,0,0|0,0,1]=3 72 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,1,0|2,0,0]=4