0 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,1,0,0,0,0|1,0,1]=3 4 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,1,0,0,0,0|0,0,2]=3 5 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,1,0,0,0,0|0,0,2]=3 6 B12R1.27 NNC(=O)CNC1=CC=CC=C1 B003339 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,1,0,0,0,0|1,0,2]=4 8 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,1,0,0,0,0|1,0,1]=3 10 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,1,0,0,0,0|0,0,2]=3 11 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,0,0,0,1,0|1,1,1]=4 12 B12R1.252 O=C(O)CCCC1=CC=CC=N1 B050627 [0,0,0,0,0,1|1,0,2]=4 13 B12R1.252 O=C(O)CCCC1=CC=NC=C1 B050634 [0,0,0,0,0,1|1,0,2]=4 14 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,1,0,0,1,0|2,0,0]=4 15 B11R1.75 CN1C=C(\C=C\C(=O)O)C=N1 B000180 [0,1,0,0,1,0|2,0,0]=4 16 B11R1.75 CN1C=CC(\C=C\C(=O)O)=N1 B035860 [0,1,0,0,1,0|2,0,0]=4 17 B11R1.90 CN1N=CC=C1\C=C\C(=O)O B035602 [0,1,0,0,1,0|2,0,0]=4 18 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 B029846 [0,1,0,0,0,1|2,0,0]=4 19 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 B049227 [0,1,0,0,0,1|1,0,1]=4 20 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 B004261 [0,2,0,0,0,0|1,0,1]=4 21 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 B004256 [0,2,0,0,0,0|1,0,1]=4 22 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 B050273 [0,2,0,0,0,0|0,0,2]=4 23 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O B047260 [0,2,0,0,0,0|1,0,1]=4 24 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 B013798 [0,2,0,0,0,0|1,0,1]=4 25 B13R1.511 O=C(O)CNC1=CC=C(Cl)C(Cl)=C1 B003348 [0,2,0,0,0,0|1,0,1]=4 26 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(O)C=C1 B029874 [0,2,0,0,0,0|0,0,0]=2 27 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O B013908 [0,2,0,0,0,0|1,0,1]=4 28 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 B048525 [0,2,0,0,0,0|0,0,2]=4 29 B13R1.90 N#CC1=C(OCC(=O)O)C=CC=C1 B005814 [0,2,0,0,0,0|1,0,1]=4 30 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O B005809 [0,2,0,0,0,0|1,0,1]=4 31 B13R1.3420 CC1=CC(C)=CC(OCC(=O)O)=C1 B013808 [0,2,0,0,0,0|1,0,1]=4 32 B11R1.53 NCC1=CC=CC=C1C(=O)O B049870 [0,0,1,1,0,0|1,0,1]=4 33 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 B019566 [0,0,1,1,0,0|1,0,1]=4 34 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 B019567 [0,0,1,1,0,0|1,0,1]=4 35 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,0,0,1,1,0|2,0,0]=4 36 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 B000316 [0,0,0,1,0,1|2,0,0]=4 37 B13R2.10 O=C1C=C(C2=CC=CC=C2)NN1 B028741 [0,0,0,1,0,1|2,0,0]=4 38 B13R2.10 OC1=CC(C2=CC=CC=C2)=NN1 B017756 [0,0,0,1,0,1|2,0,0]=4 39 B13R2.72 O=C(O)C1=C2N=CC=CN2N=C1 B001273 [0,0,0,1,0,1|2,0,0]=4 40 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 B022610 [0,0,0,1,0,1|0,0,2]=4 41 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 B050211 [0,1,0,1,0,0|2,0,0]=4 42 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 B041296 [0,1,0,1,0,0|1,0,0]=3 43 B13R2.155 NC1=NC2=C(C=C1)C=CC(O)=N2 B050770 [0,1,0,1,0,0|2,0,0]=4 44 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 B050220 [0,1,0,1,0,0|2,0,0]=4 45 B13R2.57 C(=O)C1=NC2=CC=CC=C2C=C1 B046312 [0,1,0,1,0,0|1,0,0]=3 46 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 B049270 [0,1,0,1,0,0|2,0,0]=4 47 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 B029665 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 B035681 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 B000386 [0,1,0,1,0,0|2,0,0]=4 50 B13R2.57 OCC1=CC2=C(C=CC=C2)N=C1 B037016 [0,1,0,1,0,0|2,0,0]=4 51 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B050800 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 B006869 [0,1,0,1,0,0|1,0,0]=3 53 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B030509 [0,1,0,1,0,0|1,0,0]=3 54 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 B001269 [0,1,0,1,0,0|2,0,0]=4 55 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 B049481 [0,1,0,1,0,0|0,0,2]=4