0 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.14 N=CC(=C)CCC1=CC=C(F)C=C1 DB08176 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.14 O=C(\C=C\C1=CC=C(Cl)C=C1)NO DB07819 [0,1,0,0,0,0|1,0,2]=4 8 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O DB00135 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O DB03839 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 DB07718 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.133 [C@@H](N)(CC1=CC=C(I)C=C1)C(=O)O DB04713 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.133 [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O DB03660 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.133 [C@H](N)(CC1=CC=C(O)C=C1)C(N)=O DB03380 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.133 [C@H](S)(CC1=CC=C(I)C=C1)C(=O)O DB02570 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.164 C(C(=O)O)=CC1=C(O)C=C(O)C=C1 DB01704 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 DB01880 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 DB00316 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.20 CC(N)CC1=CC=C(O)C=C1 DB09352 [0,0,0,0,1,0|1,0,1]=3 19 B13R1.513 [P@@H](=O)([O-])CCOC1=CC=C(C)C=C1 DB07103 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.1 NCCC1=CC=C(O)C=C1 DB08841 [2,0,0,0,0,0|0,0,0]=2 21 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [2,0,0,0,0,0|0,0,1]=3 24 B10R1.17 NNCCC1=CC=CC=C1 DB00780 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [2,0,0,0,0,0|0,0,2]=4 28 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 DB13917 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O DB00120 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.226 N=C(N)NCC1=CC([123I])=CC=C1 DB09546 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.226 NC(N)=NCC1=CC(I)=CC=C1 DB06704 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.4 COC1=CC=C(CC(C)N)C=C1 DB01472 [0,1,0,0,1,0|1,0,1]=4 40 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 DB08767 [0,1,0,0,1,0|0,0,0]=2 41 B12R1.4 N=C(N)NC1=CC=C(CO)C=C1 DB06900 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,1,0,0,1,0|1,0,0]=3 43 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DB02601 [0,1,0,0,1,0|1,0,0]=3 44 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 DB04291 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.20 [C@@H](O)(C(=O)O)C1=CC=C(O)C=C1 DB07896 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(O)C=C1 DB04308 [0,1,0,0,1,0|1,0,0]=3 47 B14R1.134 [C@@H](N)(CC1=CC=C(I)C=C1)C(=O)NO DB01980 [0,2,0,0,0,0|1,0,0]=3 48 B14R1.132 [C@@H](O)(C(=O)O)[C@@H](O)C1=CC=C(F)C=C1 DB06946 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 DB00181 [0,2,0,0,0,0|2,0,0]=4 50 B14R1.1019 NC[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 DB12098 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.1019 [C@@H](CN)(CC(=O)O)C1=CC=C(Cl)C=C1 DB08891 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.686 N=C(/CC1=CC(O)=C(O)C=C1)C(=O)O DB07979 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O DB04436 [0,2,0,0,0,0|1,0,0]=3 54 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O DB01235 [0,2,0,0,0,0|1,0,0]=3 55 B14R1.686 N[C@@H](CC1=CC=C(O)C(I)=C1)C(=O)O DB01758 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O DB00765 [0,2,0,0,0,0|1,0,0]=3 57 B12R2.606 N=C1NC2=C(C=C(O)C=C2)N1 DB03729 [0,0,0,1,1,0|2,0,0]=4 58 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 DB00356 [0,0,0,1,1,0|2,0,0]=4 59 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [1,0,0,0,1,0|1,0,1]=4 60 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [1,0,0,0,1,0|1,0,1]=4 61 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,0,0,0,1,0|1,1,0]=4 62 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [1,0,0,0,1,0|1,0,0]=3 63 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,0,0,0,2,0|2,0,0]=4 64 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,0,0,0,2,0|2,0,0]=4 65 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,0,0,0,2,0|1,0,0]=3 66 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,0,0,0,2,0|2,0,0]=4 67 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,0,0,0,2,0|2,0,0]=4 68 B12R1.252 O=C(O)CCCC1=CC=CC=C1 DB06819 [1,0,0,0,0,1|1,0,0]=3