0 B11R1.91 O=C(O)CNC1=CC=CC=[NH+]1 180553 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [1,0,0,0,0,0|1,0,1]=3 2 B12R1.21 NC(=O)\C=C\C1=CC=C(F)C=C1 102676 [0,1,0,0,0,0|1,0,0]=2 3 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 093009 [0,1,0,0,0,0|1,0,1]=3 4 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 086592 [0,1,0,0,0,0|1,0,1]=3 5 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Cl)C=C1 015816 [0,1,0,0,0,0|1,0,1]=3 6 B12R1.27 CNC(=O)COC1=CC=CC=C1 105775 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.43 CN(O)C(=O)NC1=CC=CC=C1 024109 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)Cl 014734 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 328702 [0,1,0,0,0,0|1,0,2]=4 10 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 099861 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 085104 [0,1,0,0,0,0|1,0,1]=3 12 B12R2.24 C1=CC2=CC=CC=C2N=C1[2H] 180079 [0,0,0,1,0,0|2,0,0]=3 13 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 181986 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [0,0,0,0,1,0|1,0,1]=3 15 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [0,0,0,0,1,0|1,0,2]=4 16 B11R1.16 C\C(=C/CO)C1=NC=CC=C1 099298 [1,1,0,0,0,0|1,0,1]=4 17 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [0,1,0,0,1,0|1,0,1]=4 18 B11R1.36 CC(C(=O)Cl)C1=CC=CC=C1 014722 [0,1,0,0,1,0|1,0,1]=4 19 B11R1.157 NC(=O)CC1=CC(F)=CC=C1 102220 [0,1,0,0,1,0|1,0,1]=4 20 B11R1.157 O=C(O)C[N+]1=CC(Cl)=CC=C1 182512 [0,1,0,0,1,0|1,0,1]=4 21 B13R1.149 CC1=CC=CC(CSCC(=O)O)=C1 346569 [0,1,0,0,0,1|0,0,2]=4 22 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 314871 [0,1,0,0,0,1|0,0,2]=4 23 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 401619 [0,1,0,0,0,1|0,0,1]=3 24 B13R1.14 COC(=O)CSC1=CC=C(Cl)C=C1 094881 [0,2,0,0,0,0|1,0,1]=4 25 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Br 211926 [0,2,0,0,0,0|0,0,2]=4 26 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl 065834 [0,2,0,0,0,0|1,0,1]=4 27 B13R1.511 CC1=C(Cl)C=CC(OCC(=O)O)=C1 059904 [0,2,0,0,0,0|1,0,1]=4 28 B13R1.511 O=C(O)COC1=CC(Cl)=C(Cl)C=C1 103030 [0,2,0,0,0,0|1,0,1]=4 29 B13R1.11 COC(=S)NC(=O)C1=CC=CC=C1 180658 [0,2,0,0,0,0|1,1,0]=4 30 B13R1.15 COC(=O)CSC1=CC(Br)=CC=C1 095028 [0,2,0,0,0,0|1,0,1]=4 31 B13R1.15 COC(=O)CSC1=CC(Cl)=CC=C1 094946 [0,2,0,0,0,0|1,0,1]=4 32 B13R1.528 COC(=O)COC1=C(C)C=CC=C1 373660 [0,2,0,0,0,0|1,0,1]=4 33 B13R1.893 CC1=CC(OCC(=O)O)=C(Cl)C=C1 059991 [0,2,0,0,0,0|1,0,1]=4 34 B13R1.893 O=C(O)CSC1=CC(Cl)=CC=C1Cl 066634 [0,2,0,0,0,0|1,0,1]=4 35 B11R2.36 OC1=CC=C2NC=CC2=N1 231128 [0,0,0,1,1,0|2,0,0]=4 36 B13R2.10 CC1=NN=C(C2=CC=CC=C2)O1 180256 [0,0,0,1,0,1|2,0,0]=4 37 B13R2.10 O=C1C=C(C2=CC=CC=C2)CS1 180425 [0,0,0,1,0,1|1,0,1]=4 38 B13R2.10 O=C1NC(C2=CC=CC=C2)=CS1 180430 [0,0,0,1,0,1|1,0,0]=3 39 B13R2.72 NC(=S)C1=CSC2=CC=CC=C21 103238 [0,0,0,1,0,1|1,1,0]=4 40 B13R2.435 O=C(O)C1=CC2=CN=CN=C2N1 093651 [0,1,0,1,0,0|2,0,0]=4 41 B13R2.328 CC1=CC2=CC=CC=C2C(C)=C1 104533 [0,1,0,1,0,0|2,0,0]=4 42 B13R2.328 C[N+]1=CC(O)=CC2=C1C=CC=C2 182283 [0,1,0,1,0,0|2,0,0]=4