0 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O 077642 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.511 CC1=CC=C(\C=C\C(=O)O)C=C1F 005802 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 103092 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(F)C=C1 004224 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 104777 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 004808 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.511 O=C(O)\C=C\C1=CC=C(F)C(Cl)=C1 005637 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 209825 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.575 COC1=C(O)C=CC(\C=C\C=O)=C1 103620 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.643 COC1=CC(CCC(=O)O)=CC=C1 018802 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.643 COC1=CC(\C=C\C(=O)O)=CC=C1 209774 [1,0,0,0,0,0|1,0,0]=2 11 B15R1.392 COC1=C(O)C(Br)=CC(\C=C\C(=O)O)=C1 239544 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.4039 COC(=O)\C=C\C1=CC=C(O)C(OC)=C1 210666 [0,1,0,0,0,0|0,0,0]=1 13 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 018578 [0,1,0,0,0,0|1,0,0]=2 14 B15R1.12854 COC1=C(OC)C=C(\C=C\[N+](=O)[O-])C=C1 018588 [0,1,0,0,0,0|2,0,0]=3 15 B15R1.12854 COC1=CC=C(CCC(=O)O)C=C1OC 018597 [0,1,0,0,0,0|1,0,2]=4 16 B15R2.7688 O=C(O)CCC1=CC=C2OCOC2=C1 018840 [0,0,0,1,0,0|1,0,2]=4 17 B15R2.7688 O=C(O)\C=C\C1=CC2=C(C=C1)OCC2 023584 [0,0,0,1,0,0|2,0,0]=3 18 B15R2.7688 O=C(O)\C=C\C1=CC2=C(C=C1)OCO2 019262 [0,0,0,1,0,0|1,0,0]=2 19 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 002580 [0,0,0,0,1,0|1,0,1]=3 20 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [2,0,0,0,0,0|0,0,2]=4 21 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 046849 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 104178 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 239541 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 464926 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 014744 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 001109 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 001144 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 001180 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 018725 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 050295 [2,0,0,0,0,0|0,0,1]=3 38 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1O 210229 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.41 COC1=CC(C(O)C(=O)O)=CC=C1O 321935 [0,1,0,0,1,0|1,0,1]=4 40 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 049630 [0,1,0,0,1,0|1,0,1]=4 41 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC 243018 [0,1,0,0,1,0|0,0,1]=3 42 B16R1.423 COC1=CC(\C=C\C(=O)O)=CC(OC)=C1O 011152 [0,2,0,0,0,0|1,0,0]=3 43 B16R1.4276 COC(=O)CCC1=CC(OC)=C(OC)C=C1 105871 [0,2,0,0,0,0|0,0,2]=4 44 B16R1.15083 CCOC(=O)CCC1=CC=C(O)C(OC)=C1 018682 [0,2,0,0,0,0|0,0,2]=4 45 B16R1.15083 CCOC(=O)\C=C\C1=CC=C(O)C(OC)=C1 079387 [0,2,0,0,0,0|0,0,0]=2 46 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 215979 [1,0,0,1,0,0|0,0,2]=4 47 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 023276 [1,0,0,1,0,0|1,0,1]=4 48 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 002592 [1,0,0,1,0,0|1,0,0]=3 49 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 018839 [0,0,0,1,1,0|1,0,1]=4 50 B16R2.1461 COc1cc2ccc(=O)oc2cc1OC 195147 [0,1,0,1,0,0|1,0,0]=3 51 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 092681 [1,0,0,0,1,0|1,0,1]=4 52 B12R1.438 COC1=CC(NC(N)=O)=CC=C1 092009 [1,0,0,0,1,0|2,0,0]=4 53 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 018795 [1,0,0,0,1,0|1,0,1]=4 54 B12R1.438 CSC1=CC=CC(OC(C)=O)=C1 103242 [1,0,0,0,1,0|1,1,0]=4 55 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 048788 [0,0,0,0,2,0|2,0,0]=4 56 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 005490 [0,0,0,0,2,0|2,0,0]=4 57 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 013010 [0,0,0,0,2,0|1,0,0]=3 58 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 035780 [0,0,0,0,2,0|2,0,0]=4 59 B12R1.56 COC1=CC(C(=O)O)=CC=C1C 092939 [0,0,0,0,2,0|2,0,0]=4 60 B12R1.56 COC1=CC(C(=O)O)=CC=C1O 075247 [0,0,0,0,2,0|1,0,0]=3 61 B12R1.56 COC1=CC(C(C)=O)=CC=C1O 227636 [0,0,0,0,2,0|0,0,0]=2 62 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1O 013672 [0,0,0,0,2,0|2,0,0]=4