0 B9R1.69 C=C1C=NC(C)=NC1=N DB01788 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 CC1=CC=C(C)C(N)=C1 DB02163 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.69 CC1=CC=C(N)C=C1C DB03018 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.69 CC1=CC=C(O)C(N)=C1 DB04533 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.69 CC1=CC=C(O)C(O)=C1 DB04120 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.69 CC1=CC=C(O)C=C1C DB04052 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.69 CC1=CN=C(C)N=C1N DB02372 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 CC1=CNC(=O)NC1=O DB03462 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.69 CN1C=CC(N)=NC1=O DB04314 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [1,0,0,0,0,0|0,0,0]=1 14 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.5 NC1=CC=CC=C1F DB02403 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.5 NC1=CC=CC=C1O DB01726 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.5 OC1=CC=CC=C1Br DB04586 [1,0,0,0,0,0|1,0,0]=2 19 B8R1.5 OC1=CC=CC=C1Cl DB03110 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.5 OC1=CC=CC=C1O DB02232 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.22 OC1=C(Br)C=C(Br)C=C1Br DB02417 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.25 CC1=NC=C(CN)C(N)=N1 DB03204 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.25 CC1=NC=C(CO)C(N)=N1 DB02022 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.118 CC1=CC(N)=C(N)C=C1C DB03180 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [1,0,1,0,0,0|2,0,0]=4 28 B7R1.3 CC1=CC=CN=C1 DB01996 [2,0,0,0,0,0|1,0,0]=3 29 B7R1.3 IC1=CC=CC=C1 DB02252 [2,0,0,0,0,0|1,0,0]=3 30 B7R1.3 NC1=CC=CC=C1 DB06728 [2,0,0,0,0,0|1,0,0]=3 31 B7R1.3 OC1=CC=CC=C1 DB03255 [2,0,0,0,0,0|0,0,0]=2 32 B7R1.3 SC1=CC=CC=N1 DB03329 [2,0,0,0,0,0|1,1,0]=4 33 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [1,1,0,0,0,0|1,0,0]=3 36 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.3 C=C1C=CC=C(C)[C@@H]1N DB03842 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.3 CC1=C(N)C=CC=C1F DB01986 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.3 CC1=CC=CC(O)=C1O DB03454 [1,1,0,0,0,0|0,0,0]=2 40 B9R1.34 ClC1=CC(Cl)=CC(Cl)=C1 DB03836 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.34 NC1=CC(F)=CC(F)=C1 DB03238 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.15 NC1=CC=CC=C1CO DB03058 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.15 SCC1=CC=CC=C1I DB03630 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,2,0,0,0,0|1,0,1]=4 45 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=C1 DB04110 [0,2,0,0,0,0|1,0,1]=4 46 B11R1.280 C=CC1=CC=C(O)C(OC)=C1 DB03514 [0,2,0,0,0,0|1,0,1]=4 47 B11R1.280 COC1=CC(OO)=CC=C1O DB03764 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [0,2,0,0,0,0|1,0,1]=4 49 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 DB03407 [0,2,0,0,0,0|2,0,0]=4 50 B11R2.36 CC1=CC2=C(C=C1)N=CN2 DB03177 [0,1,0,1,0,0|1,0,1]=4