0 B12R1.4 COc1ccc(CC(=O)O)cc1 M20229 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 M10198 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.20 CC(=O)Oc1ccc(O)cc1 M22549 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 M22869 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.20 O=C(O)Cc1ccc(O)cc1 M18084 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.83 C=CCc1ccc(OC)cc1 M20326 [1,0,0,0,0,0|0,0,1]=2 7 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M10221 [1,0,0,0,0,0|0,0,1]=2 8 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M14428 [1,0,0,0,0,0|0,0,1]=2 9 B13R1.5 C=CC(=O)Nc1ccc(OC)cc1 M28407 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 M10460 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 M15361 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.585 CC(=O)C1=CC=C(CC(C)C)C=C1 M14340 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.585 CC(=O)NC1=CC=C(C(=O)O)C=C1 M15022 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.585 CC(=O)Oc1ccc(C(=O)O)cc1 M27272 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)O2 M18751 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M17742 [0,0,0,0,1,0|1,0,0]=2 17 B11R1.3 COC1=NC=C(C(N)=O)C=C1 M24726 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 M15072 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 M15344 [0,0,0,0,1,0|3,0,0]=4 20 B13R1.3 COc1ccc(CCC(C)=O)cc1 M22648 [0,0,0,0,0,1|0,0,0]=1 21 B13R1.3 COc1ccc(\C=C\C(=O)O)cc1 M20610 [0,0,0,0,0,1|1,0,1]=3 22 B10R1.1 N#CCc1ccc(O)cc1 M22659 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.1 NCCc1ccc(O)cc1 M18703 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.1 NCCc1ccc(O)cc1 M21102 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.1 OCCc1ccc(O)cc1 M18667 [2,0,0,0,0,0|0,0,2]=4 27 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.18 CC(=S)Nc1ccccc1 M27241 [2,0,0,0,0,0|1,1,0]=4 30 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.18 O=C(O)Cc1ccccc1 M19689 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.3 COc1ccc(C=O)cc1 M21217 [2,0,0,0,0,0|0,0,0]=2 33 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 M19538 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.20 N[C@H](C(=O)O)c1ccc(F)cc1 M27369 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 M19593 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 M20044 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M23386 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.288 COC1=CC=C(CC#N)C=C1Br M29554 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 M24608 [0,1,0,0,1,0|0,0,0]=2 41 B12R1.48 COc1ccc(C(=O)O)cc1O M20478 [0,1,0,0,1,0|1,0,0]=3 42 B12R1.256 CC(=O)C1=CC=C(S(C)=O)C=C1 M24257 [0,1,0,0,1,0|0,1,0]=3 43 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 M18258 [0,1,0,0,1,0|1,0,0]=3 44 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 M15001 [0,1,0,0,1,0|0,0,0]=2 45 B14R1.3 COc1ccc(OC(C)C(=O)[O-])cc1 M28055 [0,1,0,0,0,1|1,0,0]=3 46 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 M14916 [0,1,0,0,0,1|1,0,1]=4 47 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 M16674 [0,2,0,0,0,0|1,0,0]=3 48 B14R1.805 CC(=O)NC1=CC=C(CC(=O)O)C=C1 M12889 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.805 CC(=O)Oc1ccc(OC(C)=O)cc1 M27257 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 M19333 [0,0,1,1,0,0|1,0,1]=4 51 B12R2.606 O=C1Cc2cc(O)ccc2N1 M28142 [1,0,0,1,0,0|1,0,0]=3 52 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 M14670 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.134 COc1ccc2ccc(=O)oc2c1 M18747 [0,0,0,1,0,1|1,0,1]=4 54 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 M15685 [0,1,0,1,0,0|1,0,0]=3 55 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [1,0,0,0,1,0|0,0,0]=2 56 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [1,0,0,0,1,0|0,0,0]=2 57 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [1,0,0,0,1,0|1,0,1]=4 58 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [1,0,0,0,1,0|1,0,0]=3 59 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [1,0,0,0,1,0|1,0,1]=4 60 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [1,0,0,0,1,0|2,0,0]=4 61 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [1,0,0,0,1,0|1,0,0]=3 62 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [1,0,0,0,1,0|2,0,0]=4 63 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 M18780 [1,0,0,0,0,1|0,0,0]=2 65 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 M28118 [1,0,0,0,0,1|2,0,0]=4 66 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M23850 [1,0,0,0,0,1|1,0,1]=4 67 B12R1.21 CN(C)CCc1ccc(O)cc1 M18761 [1,0,0,0,0,1|2,0,0]=4 68 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 M27193 [1,0,0,0,0,1|0,0,2]=4 69 B12R1.21 O=C(O)CCc1ccc(O)cc1 M18668 [1,0,0,0,0,1|1,0,0]=3 70 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 M14694 [1,0,0,0,0,1|1,0,1]=4 71 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 M19059 [1,0,0,0,0,1|1,0,1]=4 72 B12R1.438 COc1cccc(CC(=O)O)c1 M22652 [0,0,0,0,1,1|1,0,0]=3