0 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B028560 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 B020230 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 B029934 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 B006610 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.452 COC1=NC(N)=C([N+](=O)[O-])C=C1 B049006 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,0,0,0,1,0|2,0,0]=3 14 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [0,0,0,0,1,0|3,0,0]=4 15 B10R1.31 CCC1=NOC(C(=O)O)=C1 B036531 [0,0,0,0,1,0|3,0,0]=4 16 B10R1.31 CCN1C=C(C(=O)O)C=N1 B000230 [0,0,0,0,1,0|3,0,0]=4 17 B10R1.31 CCN1C=CC(C(=O)O)=N1 B000137 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.31 COC1=NC=C(C(=O)[O-])S1 B061073 [0,0,0,0,1,0|2,0,1]=4 20 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B004285 [1,1,0,0,0,0|0,0,0]=2 22 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.279 COC1=CC=C(C#N)C=C1O B049493 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.21 CN1C=C(C(=O)O)C=CC1=O B039490 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 B022751 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.22 COC(=O)C1=NC=C(O)N=C1 B050274 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 B022963 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 B030589 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.44 CCC1=CC(C(=O)OC)=CS1 B035760 [0,1,0,0,1,0|2,0,0]=4 30 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 B013956 [0,1,0,0,1,0|2,0,0]=4 31 B11R1.124 CCCC1=CC(C(=O)O)=CS1 B007506 [0,1,0,0,1,0|2,0,0]=4 32 B11R1.124 CCCC1=CC=C(C(=O)O)S1 B021709 [0,1,0,0,1,0|2,0,0]=4 33 B11R1.124 CCSC1=CC=C(C(=O)O)S1 B029968 [0,1,0,0,1,0|1,1,0]=4 34 B11R1.124 CNCC1=CC=C(C(=O)O)S1 B059674 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.124 COCN1C=CC(C(=O)O)=N1 B020504 [0,1,0,0,1,0|2,0,0]=4 36 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 B007509 [0,1,0,0,1,0|2,0,0]=4 37 B11R1.175 CC(C)C1=CC=C(C(=O)O)S1 B029943 [0,1,0,0,1,0|2,0,0]=4 38 B13R1.537 NNC(=O)C1=CC=C(C(=O)O)C=C1 B038161 [0,2,0,0,0,0|2,0,0]=4 39 B13R1.140 CCOC1=CC=C(S(=O)(=O)Cl)C=C1 B019381 [0,2,0,0,0,0|1,0,1]=4 40 B13R1.120 NC1=CC([N+](=O)[O-])=CC=C1C(=O)O B048675 [0,2,0,0,0,0|2,0,0]=4 41 B13R1.3380 COC1=C(Br)C=C([N+](=O)[O-])C=C1Br B049696 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.74 O=C(O)C1=CC=C(OCCF)C=C1 B059303 [0,2,0,0,0,0|0,0,0]=2 43 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 B039544 [0,0,0,1,0,1|1,1,0]=4 44 B13R2.2121 COC1=CC=C2OC(S)=NC2=C1 B039588 [0,0,0,1,0,1|1,1,0]=4 45 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 B049718 [0,1,0,1,0,0|1,0,0]=3 46 B9R1.21 CCC1=CC=C(C=O)S1 B003568 [1,0,0,0,1,0|2,0,0]=4 47 B9R1.21 COC1=NC=C(C=O)S1 B059779 [1,0,0,0,1,0|2,0,0]=4 48 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [1,0,0,0,1,0|1,0,0]=3 49 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [1,0,0,0,1,0|2,0,0]=4 50 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [1,0,0,0,1,0|2,0,0]=4 51 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [1,0,0,0,1,0|2,0,0]=4 52 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [1,0,0,0,1,0|2,0,0]=4 53 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [1,0,0,0,1,0|2,0,0]=4 54 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [1,0,0,0,1,0|2,0,0]=4 55 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [1,0,0,0,1,0|2,0,0]=4 56 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [1,0,0,0,1,0|2,0,0]=4 57 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 B019567 [0,0,0,0,1,1|2,0,0]=4 58 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 B004261 [0,0,0,0,0,2|2,0,0]=4 59 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 B004256 [0,0,0,0,0,2|2,0,0]=4