0 B13R1.466 CNCC(O)C1=CC(=C(C=C1)F)F PH015262 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [1,0,0,0,0,0|1,0,2]=4 2 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [1,0,0,0,0,0|0,0,0]=1 7 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.17 CCCC(O)C1=C[N+](=CC=C1)[O-] S668400 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [1,0,0,0,0,0|0,0,0]=1 10 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,0,0,0,0,0|0,0,2]=3 11 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [1,0,0,0,0,0|1,0,2]=4 15 B12R1.385 CCCCC1=CC(=C(C=C1)N)C CDS010548 [1,0,0,0,0,0|3,0,0]=4 16 B14R1.685 CC(C)CC(=O)C1=CC=C(C(=C1)O)O PH008907 [0,1,0,0,0,0|1,0,2]=4 17 B14R1.1003 CCC(C)C(=O)C1=CC=C(C(=C1)O)O PH008914 [0,1,0,0,0,0|1,0,2]=4 18 B14R1.7264 CCCC(=O)C1=CC(=C(C=C1O)O)O T308293 [0,1,0,0,0,0|1,0,2]=4 19 B14R2.954 CC1=CC=C(C=C1C)C(O)C2CC2 PH018506 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [2,0,0,0,0,0|0,0,0]=2 30 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [2,0,0,0,0,0|0,0,0]=2 31 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [2,0,0,0,0,0|0,0,2]=4 44 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [2,0,0,0,0,0|0,0,2]=4 45 B11R1.23 CCC(O)C1=NC(=CC=C1)N PH018486 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [2,0,0,0,0,0|0,0,2]=4 49 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [2,0,0,0,0,0|0,0,0]=2 50 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [2,0,0,0,0,0|0,0,2]=4 53 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [2,0,0,0,0,0|0,1,1]=4 56 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [2,0,0,0,0,0|0,0,2]=4 60 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [2,0,0,0,0,0|2,0,0]=4 61 B13R1.452 CNCC(O)C1=CC=C(C=C1)OC PH015261 [1,1,0,0,0,0|0,0,0]=2 62 B13R1.460 CNCC(O)C1=CC(=CC=C1)OC PH009882 [1,1,0,0,0,0|0,0,0]=2 63 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [1,1,0,0,0,0|0,0,2]=4 64 B13R1.272 CCC(C)(C)C1=CC=C(C(=C1)Cl)O S565989 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.3088 COC1=CC=C(C=C1O)C(O)C#N S114057 [1,1,0,0,0,0|0,0,2]=4 66 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [1,1,0,0,0,0|0,0,0]=2 67 B13R1.575 CCCCC1=CC(=C(C=C1)O)C=O ASX00136 [1,1,0,0,0,0|1,0,1]=4 68 B13R1.2879 CCC(N)CC1=CC(=C(C=C1)C)O T340685 [1,1,0,0,0,0|2,0,0]=4 69 B15R1.641 CCCC(C(=O)N)C1=CC(=C(C=C1)O)O R278602 [0,2,0,0,0,0|1,0,1]=4 70 B15R1.889 CC(C)NCC(=O)C1=CC=C(C(=C1)O)O S346322 [0,2,0,0,0,0|0,0,2]=4 71 B15R1.889 CC(C)NCC(O)C1=CC=C(C(=C1)Cl)Cl PH018431 [0,2,0,0,0,0|2,0,0]=4 72 B13R2.12 FC1=CC=C(C=C1)C2CCNC2 CDS010241 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.520 CC1=CC=C(C=C1)C(O)C2CC2 S431672 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.520 OC(C1=CC=C(C=C1)Br)C2CC2 S406937 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.520 OC(C1=CC=C(C=C1)Cl)C2CC2 S407135 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.520 OC(C1=CC=C(C=C1)F)C2CC2 S449911 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.5179 CC1CCCC2=C1C=CC(=C2)O S956082 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.13 ClC1=CC=CC(=C1)C2CCNC2 CBR02308 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.162 NC1CCCC2=CC=C(C=C12)O PH019049 [1,0,0,1,0,0|2,0,0]=4 80 B13R2.369 NC1=C(C=C2CCCCC2=C1)O R161217 [1,0,0,1,0,0|2,0,0]=4 81 B15R2.94 OC1=C(C=C(C=C1)C2CNCCO2)O PH012502 [0,1,0,1,0,0|0,0,0]=2 82 B15R2.94 OC1=CC=C(C=C1O)C2CCCCC2 PH007027 [0,1,0,1,0,0|2,0,0]=4