0 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 c08653 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 CC(C)NCCC1=CC=CC=C1 c04038 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 CCCNCC1=CC=CC=C1 a07316 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 OCCNCC1=CC=CC=C1 a05540 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.45 O=C(CC[N+](=O)[O-])C1=CC=CC=C1 e01168 [0,1,0,0,0,0|1,0,2]=4 5 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 c08612 [0,1,0,0,0,0|0,0,1]=2 6 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 c07910 [0,1,0,0,0,0|0,0,3]=4 7 B13R1.351 C\C(=N/NC1=CC=CC=C1)C(=O)O a01498 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.351 NC(=O)C(=O)CCC1=CC=CC=C1 e01165 [0,1,0,0,0,0|1,0,1]=3 9 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 c03110 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 c01833 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 M04885 [0,0,0,1,0,0|2,0,0]=3 12 B13R1.337 CC(C)NCCCC1=CC=CC=C1 c03973 [0,0,0,0,0,1|2,0,1]=4 13 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 c07327 [0,0,0,0,0,1|1,0,0]=2 14 B12R1.1 OCCNCC1=CC=C(F)C=C1 c05923 [1,1,0,0,0,0|1,0,1]=4 15 B12R1.8 CCNCCCC1=CC=CC=C1 c03816 [1,1,0,0,0,0|1,0,1]=4 16 B12R1.8 N#CCCNCC1=CC=CC=C1 c07354 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 a07584 [0,1,0,0,1,0|1,0,0]=3 18 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 a01171 [0,1,0,0,1,0|2,0,0]=4 19 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 a03426 [0,1,0,0,1,0|0,0,2]=4 20 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 a00282 [0,1,0,0,1,0|1,0,0]=3 21 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 c04998 [0,1,0,0,1,0|0,0,2]=4 22 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 a02584 [0,1,0,0,1,0|0,0,2]=4 23 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O a08934 [0,1,0,0,1,0|1,0,0]=3 24 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O c08648 [0,1,0,0,1,0|0,0,0]=2 25 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 a05300 [0,1,0,0,1,0|2,0,0]=4 26 B12R1.125 CC(=O)NCC1=C(Cl)C=CC=C1 e00298 [0,1,0,0,1,0|2,0,0]=4 27 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 c02600 [0,1,0,0,1,0|1,0,0]=3 28 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 a01169 [0,1,0,0,1,0|2,0,0]=4 29 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 c07702 [0,1,0,0,1,0|2,0,0]=4 30 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 c04893 [0,1,0,0,1,0|0,0,0]=2 31 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 a08309 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl a05299 [0,1,0,0,1,0|0,0,2]=4 33 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 c06612 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.226 CC1=CC=CC(OCC(N)=O)=C1 a01170 [0,1,0,0,1,0|2,0,0]=4 35 B14R1.420 CC(NCCC(N)=O)C1=CC=CC=C1 e00983 [0,1,0,0,0,1|1,0,0]=3 36 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 M03634 [0,1,0,0,0,1|0,0,1]=3 37 B14R1.716 CNC(=O)CCNCC1=CC=CN=C1 e00845 [0,1,0,0,0,1|2,0,0]=4 38 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 M07192 [0,2,0,0,0,0|1,0,1]=4 39 B12R2.1081 NC1CCCC2=CC=CC=C21 e01074 [1,0,0,1,0,0|1,0,1]=4 40 B12R2.24 O=C1C=CC2=CC=CC=C2O1 c07899 [0,0,0,1,1,0|0,0,2]=4 41 B14R2.300 CC(=O)N1CCC2=C1C=CC(Br)=C2 c08408 [0,1,0,1,0,0|2,0,0]=4 42 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 a04235 [0,1,0,1,0,0|1,0,0]=3 43 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 c03113 [0,1,0,1,0,0|2,0,0]=4 44 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 M06623 [0,1,0,1,0,0|1,0,0]=3 45 B10R1.18 CC(=O)NC1=CC=CC=C1 a03944 [0,0,0,0,2,0|2,0,0]=4 46 B10R1.18 O=C(O)CC1=CC=CC=C1 e01172 [0,0,0,0,2,0|0,0,0]=2 47 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 c08314 [0,0,0,0,0,2|1,0,0]=3