0 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.58 CC1=CC(C(=O)O)=NN1C B035940 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.58 CN1N=C(C(=O)O)C=C1N B037986 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,0,0,0,0,0|0,2,0]=2 4 B9R1.23 CC1=C(Br)C=C(C=O)S1 B003571 [1,0,0,0,0,0|1,1,0]=3 5 B9R1.23 O=CC1=CC(Br)=C(Br)S1 B006821 [1,0,0,0,0,0|0,2,0]=3 6 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.35 CC(O)C1=CC=C(F)S1 B046192 [1,0,0,0,0,0|1,1,1]=4 9 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [1,0,0,0,0,0|1,1,0]=3 16 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 NC1=NNC(C(=O)O)=C1 B015878 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [1,0,0,0,0,0|1,1,0]=3 19 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [1,0,0,0,0,0|0,1,0]=2 20 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [1,0,0,0,0,0|0,1,0]=2 21 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 B047233 [1,0,0,0,0,0|1,1,1]=4 23 B9R1.35 OB(O)C1=CC=C(F)S1 B046258 [1,0,0,0,0,0|1,1,1]=4 24 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 B013956 [0,1,0,0,0,0|1,1,0]=3 25 B11R1.226 NNC(=O)C1=CC(Br)=C(Br)S1 B015344 [0,1,0,0,0,0|1,2,0]=4 26 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 B049542 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 B049632 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl B007139 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.80 NC1=NN(CC(=O)O)C=C1Cl B019310 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.80 NC1=NN(CC(=O)O)C=C1Cl B030003 [0,0,0,0,0,1|3,0,0]=4 31 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [2,0,0,0,0,0|0,1,0]=3 32 B8R1.1 CC1=CC=C(C=O)S1 B015983 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [2,0,0,0,0,0|0,0,0]=2 34 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.1 OCC1=CC=C(F)S1 B046290 [2,0,0,0,0,0|0,1,1]=4 36 B8R1.7 O=C(O)C1=CC=NS1 B049203 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.7 O=C(O)C1=NNC=C1 B000140 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.35 CCC1=C(Br)C=C(C=O)S1 B003569 [1,1,0,0,0,0|1,1,0]=4 39 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [1,1,0,0,0,0|0,1,0]=3 40 B10R1.14 C\C(=N/O)C1=CC=C(F)S1 B046287 [1,1,0,0,0,0|1,1,0]=4 41 B10R1.14 NNC(=O)C1=CC(Br)=CS1 B015343 [1,1,0,0,0,0|1,1,0]=4 42 B10R1.14 NNC(=O)C1=CC=C(F)S1 B052501 [1,1,0,0,0,0|1,1,0]=4 43 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 B019398 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 B030024 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.367 NNC(=O)C1=CC=C(Cl)C(Cl)=C1 B018465 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.1005 NC1=CC(C(=O)O)=CC(N)=C1Cl B049388 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 B049563 [0,1,0,0,0,1|1,0,0]=3 52 B12R1.68 CC(=O)C1=CC(CCl)=C(CCl)S1 B050314 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.274 CCCC1=C(Br)C=C(C(=O)O)S1 B013957 [0,2,0,0,0,0|1,1,0]=4 54 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [1,0,0,0,0,1|0,1,0]=3 55 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 B020509 [1,0,0,0,0,1|2,0,0]=4