0 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 CC1=CC=CN=C1 DB01996 [1,0,0,0,0,0|1,0,0]=2 5 B7R1.3 IC1=CC=CC=C1 DB02252 [1,0,0,0,0,0|1,0,0]=2 6 B7R1.3 NC1=CC=CC=C1 DB06728 [1,0,0,0,0,0|1,0,0]=2 7 B7R1.3 OC1=CC=CC=C1 DB03255 [1,0,0,0,0,0|0,0,0]=1 8 B7R1.3 SC1=CC=CC=N1 DB03329 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [0,1,0,0,0,0|0,0,1]=2 10 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.69 C=C1C=NC(C)=NC1=N DB01788 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.69 CC1=CC=C(C)C(N)=C1 DB02163 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.69 CC1=CC=C(N)C=C1C DB03018 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.69 CC1=CC=C(O)C(N)=C1 DB04533 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.69 CC1=CC=C(O)C(O)=C1 DB04120 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.69 CC1=CC=C(O)C=C1C DB04052 [0,1,0,0,0,0|0,0,0]=1 18 B9R1.69 CC1=CN=C(C)N=C1N DB02372 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.69 CC1=CNC(=O)NC1=O DB03462 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.69 CN1C=CC(N)=NC1=O DB04314 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.6 O=C(O)\C=C/C(=O)O DB04299 [0,0,1,0,0,0|3,0,0]=4 22 B7R0.6 O=C(O)\C=C\C(=O)O DB01677 [0,0,1,0,0,0|3,0,0]=4 23 B8R1.2 NCC1=CC=CC=C1 DB02464 [1,1,0,0,0,0|0,0,0]=2 24 B8R1.2 OCC1=CC=CN=C1 DB04145 [1,1,0,0,0,0|1,0,0]=3 25 B8R1.2 SCC1=CC=CN=C1 DB04490 [1,1,0,0,0,0|1,0,0]=3 26 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [1,1,0,0,0,0|0,0,0]=2 27 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [1,1,0,0,0,0|0,0,0]=2 28 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [1,1,0,0,0,0|1,0,0]=3 29 B8R1.5 NC1=CC=CC=C1F DB02403 [1,1,0,0,0,0|1,0,0]=3 30 B8R1.5 NC1=CC=CC=C1O DB01726 [1,1,0,0,0,0|0,0,0]=2 31 B8R1.5 OC1=CC=CC=C1Br DB04586 [1,1,0,0,0,0|0,0,0]=2 32 B8R1.5 OC1=CC=CC=C1Cl DB03110 [1,1,0,0,0,0|0,0,0]=2 33 B8R1.5 OC1=CC=CC=C1O DB02232 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [0,2,0,0,0,0|1,0,0]=3 35 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [0,2,0,0,0,0|1,0,0]=3 36 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,2,0,0,0,0|1,0,0]=3 37 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,2,0,0,0,0|1,0,0]=3 38 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,2,0,0,0,0|0,0,1]=3 39 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,2,0,0,0,0|1,0,0]=3 41 B10R1.25 CC1=NC=C(CO)C(N)=N1 DB02022 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [0,2,0,0,0,0|1,0,0]=3 43 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [0,2,0,0,0,0|1,0,0]=3 44 B10R1.22 OC1=C(Br)C=C(Br)C=C1Br DB02417 [0,2,0,0,0,0|1,0,0]=3 45 B10R1.118 CC1=CC(N)=C(N)C=C1C DB03180 [0,2,0,0,0,0|1,0,0]=3 46 B6R1.2 CC1=CN=CN1 DB03385 [1,0,0,0,1,0|2,0,0]=4 47 B6R1.2 CC1=CNC=C1 DB01932 [1,0,0,0,1,0|1,0,0]=3 48 B6R1.2 CN1C=C[NH+]=C1 DB02671 [1,0,0,0,1,0|2,0,0]=4