0 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [1,0,0,0,0,0|3,0,0]=4 1 B12R1.225 OC(C1=CC=CC(=C1)Cl)C(Cl)Cl S407143 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,0,0,0,0,0|0,0,2]=3 3 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,0,0,0,0,0|1,0,0]=2 6 B14R1.1003 CCC(C)C(=O)C1=CC=C(C(=C1)O)O PH008914 [0,1,0,0,0,0|1,0,2]=4 7 B14R2.954 CC1=CC=C(C=C1C)C(O)C2CC2 PH018506 [0,0,0,1,0,0|3,0,0]=4 8 B14R1.685 CC(C)CC(=O)C1=CC=C(C(=C1)O)O PH008907 [0,0,0,0,0,1|1,0,2]=4 9 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [2,0,0,0,0,0|1,0,1]=4 10 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [2,0,0,0,0,0|1,0,1]=4 11 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [2,0,0,0,0,0|1,0,0]=3 12 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [2,0,0,0,0,0|2,0,0]=4 14 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [2,0,0,0,0,0|1,0,0]=3 15 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [2,0,0,0,0,0|0,0,2]=4 16 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [2,0,0,0,0,0|0,0,2]=4 27 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [2,0,0,0,0,0|0,0,2]=4 40 B11R1.23 CCC(O)C1=NC(=CC=C1)N PH018486 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [2,0,0,0,0,0|0,0,0]=2 44 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [2,0,0,0,0,0|0,0,2]=4 45 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [2,0,0,0,0,0|0,1,1]=4 48 B13R1.2879 CCC(N)CC1=CC(=C(C=C1)C)O T340685 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.21 NC1=CC=C(C=C1)C(O)C(N)CO PH010891 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.272 CCC(C)(C)C1=CC=C(C(=C1)Cl)O S565989 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.466 CNCC(O)C1=CC(=C(C=C1)F)F PH015262 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [1,1,0,0,0,0|0,0,2]=4 53 B15R1.12853 COC1=CC=C(C=C1OC)C(O)C(C)C PH010639 [0,2,0,0,0,0|1,0,0]=3 54 B13R2.520 CC1=CC=C(C=C1)C(O)C2CC2 S431672 [1,0,0,1,0,0|2,0,0]=4 55 B13R2.520 OC(C1=CC=C(C=C1)Br)C2CC2 S406937 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.520 OC(C1=CC=C(C=C1)Cl)C2CC2 S407135 [1,0,0,1,0,0|2,0,0]=4 57 B13R2.520 OC(C1=CC=C(C=C1)F)C2CC2 S449911 [1,0,0,1,0,0|2,0,0]=4 58 B13R2.4825 N1C2=C(C=CC=C2C)C(C1C)C S356670 [1,0,0,1,0,0|2,0,0]=4 59 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [1,0,0,0,0,1|2,0,0]=4