0 B19R2.2636 C=C(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb32951295 [0,0,0,0,0,0|0,0,2]=2 1 B19R2.2636 CC(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb8627905 [0,0,0,0,0,0|0,0,0]=0 2 B19R2.2636 CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1 Amb32661598 [0,0,0,0,0,0|0,0,1]=1 3 B19R2.2636 NC(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb6308784 [0,0,0,0,0,0|1,0,0]=1 4 B19R2.2636 NC(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb9725872 [0,0,0,0,0,0|1,0,0]=1 5 B19R2.2636 NC(c1cccc(Oc2ccccc2)c1)C(F)F Amb32954557 [0,0,0,0,0,0|3,0,1]=4 6 B19R2.2636 O=C(O)C(=O)c1cccc(Oc2ccccc2)c1 Amb22460904 [0,0,0,0,0,0|1,0,1]=2 7 B19R2.2636 O=C(O)C(O)c1cccc(Oc2ccccc2)c1 Amb2690245 [0,0,0,0,0,0|1,0,0]=1 8 B19R2.2636 OC(c1cccc(Oc2ccccc2)c1)C(F)F Amb32951250 [0,0,0,0,0,0|3,0,1]=4 9 B18R2.290 C#CC(C)c1cccc(Oc2ccccc2)c1 Amb33083076 [1,0,0,0,0,0|1,0,1]=3 10 B18R2.290 C=CC(=O)c1cccc(Oc2ccccc2)c1 Amb33083065 [1,0,0,0,0,0|2,0,1]=4 11 B18R2.290 C=CC(O)c1cccc(Oc2ccccc2)c1 Amb32953284 [1,0,0,0,0,0|2,0,0]=3 12 B18R2.290 CC(C#N)c1cccc(Oc2ccccc2)c1 Amb17596106 [1,0,0,0,0,0|1,0,1]=3 13 B18R2.290 CC(C=O)c1cccc(Oc2ccccc2)c1 Amb24060842 [1,0,0,0,0,0|0,0,0]=1 14 B18R2.290 CC(CN)c1cccc(Oc2ccccc2)c1 Amb18867865 [1,0,0,0,0,0|1,0,1]=3 15 B18R2.290 CC(ON)c1cccc(Oc2ccccc2)c1 Amb32951297 [1,0,0,0,0,0|2,0,0]=3 16 B18R2.290 N#CC(O)c1cccc(Oc2ccccc2)c1 Amb6357400 [1,0,0,0,0,0|2,0,1]=4 17 B18R2.290 N#C[C@@H](O)c1cccc(Oc2ccccc2)c1 Amb22745900 [1,0,0,0,0,0|2,0,1]=4 18 B18R2.290 NC(CO)c1cccc(Oc2ccccc2)c1 Amb32952379 [1,0,0,0,0,0|1,0,1]=3 19 B18R2.290 NCC(F)c1cccc(Oc2ccccc2)c1 Amb33083075 [1,0,0,0,0,0|2,0,1]=4 20 B18R2.290 NCC(O)c1cccc(Oc2ccccc2)c1 Amb22001540 [1,0,0,0,0,0|2,0,1]=4 21 B18R2.290 NCC(O)c1cccc(Oc2ccccc2)c1 Amb6740188 [1,0,0,0,0,0|2,0,1]=4 22 B18R2.290 NC[C@@H](O)c1cccc(Oc2ccccc2)c1 Amb32951248 [1,0,0,0,0,0|2,0,1]=4 23 B18R2.290 NC[C@H](O)c1cccc(Oc2ccccc2)c1 Amb32951247 [1,0,0,0,0,0|2,0,1]=4 24 B18R2.290 N[C@@H](CO)c1cccc(Oc2ccccc2)c1 Amb33081802 [1,0,0,0,0,0|1,0,1]=3 25 B18R2.290 N[C@H](CO)c1cccc(Oc2ccccc2)c1 Amb33081799 [1,0,0,0,0,0|1,0,1]=3 26 B18R2.290 N\C(=N/O)c1cccc(Oc2ccccc2)c1 Amb8834113 [1,0,0,0,0,0|2,0,1]=4 27 B18R2.290 OC(CCl)c1cccc(Oc2ccccc2)c1 Amb32951301 [1,0,0,0,0,0|2,0,1]=4 28 B18R2.290 OC(CF)c1cccc(Oc2ccccc2)c1 Amb32951302 [1,0,0,0,0,0|2,0,1]=4 29 B18R2.290 OCC(O)c1cccc(Oc2ccccc2)c1 Amb32954393 [1,0,0,0,0,0|1,0,1]=3 30 B18R2.290 [C-]#[N+]C(C)c1cccc(Oc2ccccc2)c1 Amb33083067 [1,0,0,0,0,0|2,0,0]=3 31 B18R2.312 CC(=O)Cc1cccc(Oc2ccccc2)c1 Amb18544070 [1,0,0,0,0,0|1,0,0]=2 32 B18R2.312 CC(=O)Nc1cccc(Nc2ccccc2)c1 Amb8392746 [1,0,0,0,0,0|3,0,0]=4 33 B18R2.312 CC(O)Cc1cccc(Oc2ccccc2)c1 Amb17476593 [1,0,0,0,0,0|1,0,1]=3 34 B18R2.312 CN(O)Cc1cccc(Oc2ccccc2)c1 Amb33082150 [1,0,0,0,0,0|2,0,0]=3 35 B18R2.312 C[C@@H](N)Cc1cccc(Oc2ccccc2)c1 Amb32951299 [1,0,0,0,0,0|2,0,1]=4 36 B18R2.312 C[C@@H](O)Cc1cccc(Oc2ccccc2)c1 Amb33083073 [1,0,0,0,0,0|1,0,1]=3 37 B18R2.312 C[C@H](N)Cc1cccc(Oc2ccccc2)c1 Amb32951292 [1,0,0,0,0,0|2,0,1]=4 38 B18R2.312 C[C@H](O)Cc1cccc(Oc2ccccc2)c1 Amb33083072 [1,0,0,0,0,0|1,0,1]=3 39 B18R2.312 N=C(N)Cc1cccc(Oc2ccccc2)c1 Amb2696378 [1,0,0,0,0,0|2,0,0]=3 40 B18R2.312 N=C(N)Cc1cccc(Oc2ccccc2)c1 Amb8630196 [1,0,0,0,0,0|2,0,0]=3 41 B18R2.312 N=C(N)Nc1cccc(Oc2ccccc2)c1 Amb22002404 [1,0,0,0,0,0|3,0,0]=4 42 B18R2.312 NC(=S)Cc1cccc(Oc2ccccc2)c1 Amb17496892 [1,0,0,0,0,0|1,1,0]=3 43 B18R2.312 NC(=S)Nc1cccc(Oc2ccccc2)c1 Amb20623328 [1,0,0,0,0,0|2,1,0]=4 44 B18R2.312 O=C(O)Cc1cccc(Oc2ccccc2)c1 Amb2610608 [1,0,0,0,0,0|0,0,0]=1 45 B18R2.312 O=[N+]([O-])Cc1cccc(Oc2ccccc2)c1 Amb32951303 [1,0,0,0,0,0|1,0,1]=3 46 B20R2.424 COC(=O)C(=O)c1cccc(Oc2ccccc2)c1 Amb22641511 [0,1,0,0,0,0|1,0,1]=3 47 B20R2.10539 CC(C)(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb32951527 [0,1,0,0,0,0|0,0,0]=1 48 B20R2.10539 CC(N)(c1cccc(Oc2ccccc2)c1)C(F)F Amb32951306 [0,1,0,0,0,0|2,0,1]=4 49 B20R2.10539 O=C(O)C(F)(F)c1cccc(Oc2ccccc2)c1 Amb33083079 [0,1,0,0,0,0|1,0,0]=2 50 B20R2.24692 CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 Amb22168273 [0,1,0,0,0,0|1,0,0]=2 51 B20R2.24692 CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 Amb611675 [0,1,0,0,0,0|1,0,0]=2 52 B20R2.24692 C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1 Amb22167847 [0,1,0,0,0,0|1,0,0]=2 53 B20R2.24692 C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1 Amb2717724 [0,1,0,0,0,0|1,0,0]=2 54 B20R3.12020 CC1C(=O)Nc2ccc(Oc3ccccc3)cc21 Amb8385510 [0,0,0,1,0,0|1,0,0]=2 55 B20R3.12020 NC1C(=O)Nc2ccc(Oc3ccccc3)cc21 Amb18899983 [0,0,0,1,0,0|2,0,0]=3 56 B20R3.12020 O=C1Nc2ccc(Oc3ccccc3)cc2C1=O Amb1132262 [0,0,0,1,0,0|2,0,1]=4 57 B20R3.2031455 CC(C(=O)O)c1ccc-2c(c1)Cc3ccccc32 Amb28729006 [0,0,0,1,0,0|1,0,0]=2 58 B20R3.2031455 O=C(O)C(=O)c1ccc2c(c1)oc3ccccc32 Amb32751290 [0,0,0,1,0,0|1,0,1]=3 59 B18R2.2533 CC(C(=O)O)c1cnn(Cc2ccccc2)c1 Amb24611019 [0,0,0,0,1,0|3,0,0]=4 60 B18R2.2535 C=C(C(=O)O)c1cccc(-c2ccccc2)c1 Amb31163247 [0,0,0,0,1,0|0,0,2]=3 61 B18R2.2535 NC(C(=O)O)c1cccc(-c2ccccn2)c1 Amb33624315 [0,0,0,0,1,0|2,0,0]=3 62 B18R2.12970 CC(C(=O)O)c1cncn1Cc2ccccc2 Amb28384791 [0,0,0,0,1,0|3,0,0]=4 63 B20R2.2706 CC(Cc1cccc(Oc2ccccc2)c1)C(=O)O Amb17605807 [0,0,0,0,0,1|0,0,0]=1 64 B20R2.2706 NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O Amb32651806 [0,0,0,0,0,1|1,0,0]=2 65 B20R2.2706 NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O Amb3792141 [0,0,0,0,0,1|1,0,0]=2 66 B20R2.2706 O=C(O)C(=O)Cc1cccc(Oc2ccccc2)c1 Amb1139620 [0,0,0,0,0,1|1,0,1]=3 67 B20R2.2706 O=C(O)C(O)Cc1cccc(Oc2ccccc2)c1 Amb33353402 [0,0,0,0,0,1|1,0,0]=2 68 B20R2.4472 NC(CC(=O)O)c1cccc(Oc2ccccc2)c1 Amb9730103 [0,0,0,0,0,1|1,0,0]=2 69 B20R2.4472 N[C@@H](CC(=O)O)c1cccc(Oc2ccccc2)c1 Amb19888527 [0,0,0,0,0,1|1,0,0]=2 70 B20R2.24684 CC(C(=O)O)c1cccc(OCc2ccccc2)c1 Amb2697737 [0,0,0,0,0,1|0,0,0]=1 71 B20R2.24684 NC(C(=O)O)c1cccc(OCc2ccccc2)c1 Amb3941731 [0,0,0,0,0,1|1,0,0]=2 72 B17R2.142 CC(=O)c1cccc(Cc2ccccc2)c1 Amb20620352 [2,0,0,0,0,0|1,0,1]=4 73 B17R2.142 CC(=O)c1cccc(Nc2ccccc2)c1 Amb8392087 [2,0,0,0,0,0|1,0,1]=4 74 B17R2.142 CC(=O)c1cccc(Oc2ccccc2)c1 Amb10071925 [2,0,0,0,0,0|0,0,1]=3 75 B17R2.142 CC(N)c1cccc(Oc2ccccc2)c1 Amb32954517 [2,0,0,0,0,0|1,0,0]=3 76 B17R2.142 CC(O)c1cccc(Oc2ccccc2)c1 Amb17595814 [2,0,0,0,0,0|0,0,0]=2 77 B17R2.142 CC(O)c1cccc(Oc2ncccn2)c1 Amb21984199 [2,0,0,0,0,0|2,0,0]=4 78 B17R2.142 C[C@@H](N)c1cccc(Oc2ccccc2)c1 Amb32954085 [2,0,0,0,0,0|1,0,0]=3 79 B17R2.142 C[C@@H](O)c1cccc(Oc2ccccc2)c1 Amb32951803 [2,0,0,0,0,0|0,0,0]=2 80 B17R2.142 C[C@H](N)c1cccc(Oc2ccccc2)c1 Amb33081983 [2,0,0,0,0,0|1,0,0]=3 81 B17R2.142 C[C@H](O)c1cccc(Oc2ccccc2)c1 Amb33082368 [2,0,0,0,0,0|0,0,0]=2 82 B17R2.142 NC(=O)c1cccc(Oc2ccccc2)c1 Amb1244015 [2,0,0,0,0,0|1,0,1]=4 83 B17R2.142 O=C(Cl)c1cccc(Oc2ccccc2)c1 Amb2690242 [2,0,0,0,0,0|1,0,1]=4 84 B17R2.142 O=C(O)c1cccc(Oc2ccccc2)c1 Amb1198321 [2,0,0,0,0,0|1,0,1]=4 85 B17R2.142 OB(O)c1cccc(Oc2ccccc2)c1 Amb10982526 [2,0,0,0,0,0|2,0,0]=4 86 B17R2.154 BrCCc1cccc(Oc2ccccc2)c1 Amb32952979 [2,0,0,0,0,0|1,0,1]=4 87 B17R2.154 C#CCc1cccc(Oc2ccccc2)c1 Amb33083074 [2,0,0,0,0,0|1,0,1]=4 88 B17R2.154 CNCc1cccc(Oc2ccccc2)c1 Amb1111946 [2,0,0,0,0,0|2,0,0]=4 89 B17R2.154 N#CCc1cccc(Oc2ccccc2)c1 Amb2690251 [2,0,0,0,0,0|1,0,1]=4 90 B17R2.154 NCCc1cccc(Oc2ccccc2)c1 Amb2690246 [2,0,0,0,0,0|1,0,1]=4 91 B17R2.154 NNCc1cccc(Oc2ccccc2)c1 Amb6250309 [2,0,0,0,0,0|2,0,0]=4 92 B17R2.154 NOCc1cccc(Oc2ccccc2)c1 Amb18657819 [2,0,0,0,0,0|2,0,0]=4 93 B17R2.154 O=C=Nc1cccc(Oc2ccccc2)c1 Amb3939385 [2,0,0,0,0,0|1,0,1]=4 94 B17R2.154 O=CCc1cccc(Oc2ccccc2)c1 Amb24063572 [2,0,0,0,0,0|0,0,0]=2 95 B17R2.154 OCCc1cccc(Oc2ccccc2)c1 Amb32954343 [2,0,0,0,0,0|0,0,1]=3 96 B17R2.154 ONCc1cccc(Oc2ccccc2)c1 Amb22471981 [2,0,0,0,0,0|1,0,0]=3 97 B17R2.154 O\N=C\c1cccc(Oc2ccccc2)c1 Amb2272492 [2,0,0,0,0,0|1,0,1]=4 98 B17R2.154 SCCc1cccc(Oc2ccccc2)c1 Amb32951332 [2,0,0,0,0,0|0,1,1]=4 99 B17R2.154 [C-]#[N+]Cc1cccc(Oc2ccccc2)c1 Amb2235965 [2,0,0,0,0,0|2,0,0]=4 100 B19R2.142 C#CC(C)(C)c1cccc(Oc2ccccc2)c1 Amb32951293 [1,1,0,0,0,0|1,0,1]=4 101 B19R2.142 CC(C)(C#N)c1cccc(Oc2ccccc2)c1 Amb32954355 [1,1,0,0,0,0|1,0,1]=4 102 B19R2.142 CC(C)(C=O)c1cccc(Oc2ccccc2)c1 Amb33083058 [1,1,0,0,0,0|0,0,0]=2 103 B19R2.142 CC(C)(CN)c1cccc(Oc2ccccc2)c1 Amb18872314 [1,1,0,0,0,0|1,0,1]=4 104 B19R2.142 CC(C)(CO)c1cccc(Oc2ccccc2)c1 Amb33083059 [1,1,0,0,0,0|0,0,1]=3 105 B19R2.142 CC(C)(ON)c1cccc(Oc2ccccc2)c1 Amb32951298 [1,1,0,0,0,0|2,0,0]=4 106 B19R2.142 CC(N)(CO)c1cccc(Oc2ccccc2)c1 Amb33081519 [1,1,0,0,0,0|0,0,1]=3 107 B19R2.142 CC(O)(CN)c1cccc(Oc2ccccc2)c1 Amb32951305 [1,1,0,0,0,0|1,0,1]=4 108 B19R2.142 CNC(C)(C)c1cccc(Oc2ccccc2)c1 Amb32951319 [1,1,0,0,0,0|2,0,0]=4 109 B19R2.142 OCC(F)(F)c1cccc(Oc2ccccc2)c1 Amb33083078 [1,1,0,0,0,0|1,0,1]=4 110 B19R2.268 CC(N=C=O)c1cccc(Oc2ccccc2)c1 Amb33083068 [1,1,0,0,0,0|0,0,1]=3 111 B19R2.268 N[C@@H](CCO)c1cccc(Oc2ccccc2)c1 Amb19888502 [1,1,0,0,0,0|1,0,1]=4 112 B19R2.268 N[C@H](CCO)c1cccc(Oc2ccccc2)c1 Amb19887694 [1,1,0,0,0,0|1,0,1]=4 113 B19R2.2738 O=C(CCl)Nc1cccc(Oc2ccccc2)c1 Amb1103592 [1,1,0,0,0,0|2,0,0]=4 114 B19R2.7522 CC(=O)Nc1cccc(Oc2ccccc2N)c1 Amb32419332 [1,1,0,0,0,0|2,0,0]=4 115 B19R2.11836 O=C(O)Cc1cc(Oc2ccccc2)ccc1F Amb22547499 [1,1,0,0,0,0|0,0,0]=2 116 B19R2.12235 CC(=O)Nc1cccc(Oc2ccc(N)cc2)c1 Amb3963599 [1,1,0,0,0,0|2,0,0]=4 117 B19R2.12235 NC(=O)Nc1cccc(Oc2ccc(Cl)cc2)c1 Amb30633671 [1,1,0,0,0,0|2,0,0]=4 118 B19R2.13509 O=C(O)Cc1cccc(C(=O)c2ccccc2)c1 Amb10576142 [1,1,0,0,0,0|1,0,0]=3 119 B19R2.49536 CC(C)(O)Cc1cccc(Oc2ccccc2)c1 Amb33083060 [1,1,0,0,0,0|1,0,1]=4 120 B19R2.49536 NS(=O)(=O)Cc1cccc(Oc2ccccc2)c1 Amb32952183 [1,1,0,0,0,0|1,0,1]=4 121 B19R2.49536 O=S(=O)(Cl)Cc1cccc(Oc2ccccc2)c1 Amb33352145 [1,1,0,0,0,0|1,0,1]=4 122 B19R2.49536 O=S(=O)(F)Cc1cccc(Oc2ccccc2)c1 Amb33352031 [1,1,0,0,0,0|1,0,1]=4 123 B19R2.18053 CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1 Amb17597171 [0,1,0,0,1,0|2,0,0]=4 124 B19R2.400 COC(=O)C(N)c1cccc(-c2ccncc2)c1 Amb35750375 [0,1,0,0,1,0|2,0,0]=4 125 B19R2.400 COC(=O)C(N)c1cccc(-c2ccncc2)c1 Amb35752364 [0,1,0,0,1,0|2,0,0]=4 126 B19R2.4196 C=C(C(=O)O)c1cccc(-c2ccc(C)cc2)c1 Amb31118464 [0,1,0,0,1,0|0,0,2]=4 127 B19R2.4196 C=C(C(=O)O)c1cccc(-c2ccc(Cl)cc2)c1 Amb31121290 [0,1,0,0,1,0|0,0,2]=4 128 B19R2.4196 C=C(C(=O)O)c1cccc(-c2ccc(F)cc2)c1 Amb31186343 [0,1,0,0,1,0|0,0,2]=4 129 B19R2.4390 C=C(C(=O)O)c1cccc(-c2cccc(C)c2)c1 Amb31118463 [0,1,0,0,1,0|0,0,2]=4 130 B19R2.4390 C=C(C(=O)O)c1cccc(-c2cccc(Cl)c2)c1 Amb31121289 [0,1,0,0,1,0|0,0,2]=4 131 B19R2.4390 C=C(C(=O)O)c1cccc(-c2cccc(F)c2)c1 Amb31186342 [0,1,0,0,1,0|0,0,2]=4 132 B19R2.5662 C=C(C(=O)O)c1cccc(-c2ccccc2C)c1 Amb31118462 [0,1,0,0,1,0|0,0,2]=4 133 B19R2.5662 C=C(C(=O)O)c1cccc(-c2ccccc2Cl)c1 Amb31121288 [0,1,0,0,1,0|0,0,2]=4 134 B19R2.5662 C=C(C(=O)O)c1cccc(-c2ccccc2F)c1 Amb31186341 [0,1,0,0,1,0|0,0,2]=4 135 B19R2.5662 Cc1ccccc1-c2cccc(C(=O)C(=O)O)c2 Amb33142982 [0,1,0,0,1,0|1,0,1]=4 136 B19R2.5662 Cc1ccccc1-c2cccc(C(C)C(=O)O)c2 Amb33142155 [0,1,0,0,1,0|0,0,0]=2 137 B19R2.5662 Cc1ccccc1-c2cccc(C(N)C(=O)O)c2 Amb33142118 [0,1,0,0,1,0|1,0,0]=3 138 B19R2.5662 Cc1ccccc1-c2cccc(C(O)C(=O)O)c2 Amb33142151 [0,1,0,0,1,0|1,0,0]=3 139 B19R2.8695 CC(C)(C(=O)O)c1cccc(-c2ccccc2)c1 Amb17137574 [0,1,0,0,1,0|0,0,0]=2 140 B19R2.8695 CC(O)(C(=O)O)c1cccc(-c2ccccc2)c1 Amb31186378 [0,1,0,0,1,0|0,0,0]=2 141 B19R2.12183 CC(C(=O)O)N1N=C(c2ccccc2)C=CC1=O Amb18015256 [0,1,0,0,1,0|2,0,0]=4 142 B19R2.18096 CC(C(=O)O)n1cccc1C(=O)c2ccccc2 Amb20528188 [0,1,0,0,1,0|2,0,0]=4 143 B21R2.4573 CN(Cc1cccc(Oc2ccccc2)c1)C(=O)CBr Amb17327631 [0,1,0,0,0,1|2,0,0]=4 144 B21R2.4573 COC(=O)C(N)Cc1cccc(Oc2ccccc2)c1 Amb32884075 [0,1,0,0,0,1|1,0,0]=3 145 B21R2.4573 COC(=O)C(N)Cc1cccc(Oc2ccccc2)c1 Amb33250380 [0,1,0,0,0,1|1,0,0]=3 146 B21R2.15194 CCC(Cc1cccc(Oc2ccccc2)c1)C(=O)O Amb17605808 [0,1,0,0,0,1|0,0,0]=2 147 B21R2.19080 NC(CC(=O)O)c1ccc(F)c(Oc2ccccc2)c1 Amb1787931 [0,1,0,0,0,1|1,0,0]=3 148 B21R2.19765 NC(CC(=O)O)c1cccc(Oc2ccc(Cl)cc2)c1 Amb24106429 [0,1,0,0,0,1|1,0,0]=3 149 B21R2.1238 C=C(C(=O)OC)c1cccc(OCc2ccccc2)c1 Amb22235085 [0,1,0,0,0,1|0,0,2]=4 150 B21R2.3267351 CC(C(=O)O)N1C=CC=C(OCc2ccccc2)C1=O Amb18034689 [0,1,0,0,0,1|1,0,0]=3 151 B21R2.1008 COC(=O)C(C)c1cc(Oc2ccccc2)ccc1F Amb22547517 [0,2,0,0,0,0|0,0,0]=2 152 B21R2.14768 O=C(O)C(N=C=S)c1cccc(Oc2ccccc2)c1 Amb33471321 [0,2,0,0,0,0|0,0,1]=3 153 B21R2.14768 O=C=NC(C(=O)O)c1cccc(Oc2ccccc2)c1 Amb33471328 [0,2,0,0,0,0|0,0,1]=3 154 B19R2.4008 CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1 Amb9784906 [0,0,1,1,0,0|2,0,0]=4 155 B19R2.4008 C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1 Amb8628773 [0,0,1,1,0,0|2,0,0]=4 156 B19R3.2232 NC1CC1c2cccc(Oc3ccccc3)c2 Amb9677235 [1,0,0,1,0,0|1,0,1]=4 157 B19R3.2232 N[C@@H]1C[C@H]1c2cccc(Oc3ccccc3)c2 Amb33083070 [1,0,0,1,0,0|1,0,1]=4 158 B19R3.4314 CC1(c2cccc(Oc3ccccc3)c2)CO1 Amb32951304 [1,0,0,1,0,0|0,0,1]=3 159 B19R3.19206 c1ccc(Oc2cccc(C3CCN3)c2)cc1 Amb32954710 [1,0,0,1,0,0|2,0,0]=4 160 B19R3.19206 c1ccc(Oc2cccc(C3CNC3)c2)cc1 Amb33081778 [1,0,0,1,0,0|1,0,1]=4 161 B19R3.256 O=C1Cc2cc(Oc3ccccc3)ccc2N1 Amb18896979 [1,0,0,1,0,0|1,0,0]=3 162 B19R3.19207 c1ccc(Oc2cccc(CC3CO3)c2)cc1 Amb32951277 [1,0,0,1,0,0|1,0,1]=4 163 B19R3.252868 CC(=O)Nc1ccc2c(c1)oc3ccccc32 Amb1038206 [1,0,0,1,0,0|2,0,0]=4 164 B19R3.633190 O=C(O)Cc1cccc2c1-c3ccccc3C2 Amb17596148 [1,0,0,1,0,0|1,0,0]=3 165 B19R3.8151 CC1C(=O)Nc2ccc(-c3ccccc3)cc21 Amb17246076 [0,0,0,1,1,0|1,0,0]=3 166 B19R3.8151 CN1C(=O)Oc2ccc(-c3ccccc3)cc21 Amb18046795 [0,0,0,1,1,0|1,0,0]=3 167 B21R3.507735 O=C(O)C1CC1c2cccc(Oc3ccccc3)c2 Amb9677139 [0,0,0,1,0,1|0,0,0]=2 168 B21R3.507735 O=C(O)[C@@H]1C[C@H]1c2cccc(Oc3ccccc3)c2 Amb32951286 [0,0,0,1,0,1|0,0,0]=2 169 B21R3.206 O=C1CC(c2cccc(Oc3ccccc3)c2)CN1 Amb32954939 [0,0,0,1,0,1|1,0,0]=3 170 B21R3.206 O=C1NC(c2cccc(Oc3ccccc3)c2)=NO1 Amb19292786 [0,0,0,1,0,1|1,0,1]=4 171 B21R3.206 O=C1NC(c2cccc(Oc3ccccc3)c2)CO1 Amb32954707 [0,0,0,1,0,1|0,0,0]=2 172 B21R3.206 O=C1NCC(c2cccc(Oc3ccccc3)c2)O1 Amb33081937 [0,0,0,1,0,1|1,0,0]=3 173 B21R3.18290 CN1C(=O)Nc2ccc(OCc3ccccc3)cc21 Amb22500397 [0,0,0,1,0,1|2,0,0]=4 174 B21R3.158374 CN1C(=O)C(N)c2cc(Oc3ccccc3)ccc21 Amb18903277 [0,1,0,1,0,0|2,0,0]=4 175 B21R3.24284 CC(=O)C1(c2cccc(Oc3ccccc3)c2)CC1 Amb32951309 [0,1,0,1,0,0|1,0,0]=3 176 B21R3.24284 CC(O)C1(c2cccc(Oc3ccccc3)c2)CC1 Amb32951311 [0,1,0,1,0,0|1,0,1]=4 177 B21R3.24284 O=C(O)C1(c2cccc(Oc3ccccc3)c2)CC1 Amb32953204 [0,1,0,1,0,0|0,0,0]=2 178 B21R3.3486586 CNC1C(=O)Nc2ccc(Oc3ccccc3)cc21 Amb18903278 [0,1,0,1,0,0|1,0,0]=3 179 B21R3.2432651 CC(C(=O)O)c1ccc2c(c1)Cc3cccnc3O2 Amb8390666 [0,1,0,1,0,0|2,0,0]=4 180 B21R3.18303 CC1(C)C(=O)Nc2ccc(Oc3ccccc3)cc21 Amb18903165 [0,1,0,1,0,0|1,0,0]=3 181 B21R3.18307 CC1C(=O)Nc2ccc(C(O)c3ccccc3)cc21 Amb17491115 [0,1,0,1,0,0|2,0,0]=4 182 B21R3.4268330 CC1C(=O)Nc2c(C(=O)c3ccccc3)cccc21 Amb17596913 [0,1,0,1,0,0|2,0,0]=4 183 B17R2.227 CC(CN)c1cccc(-c2ccccc2)c1 Amb31097367 [1,0,0,0,1,0|1,0,1]=4 184 B17R2.247 O=C(O)Cc1cc(-c2ccccc2)ccn1 Amb18175313 [1,0,0,0,1,0|1,0,0]=3 185 B17R2.247 O=C(O)Cc1cc(-c2ccccn2)ccn1 Amb18174739 [1,0,0,0,1,0|2,0,0]=4 186 B17R2.247 O=C(O)Cc1cccc(-c2ccccc2)c1 Amb17137430 [1,0,0,0,1,0|0,0,0]=2 187 B17R2.247 O=C(O)Cc1cccc(-c2ccccc2)n1 Amb18771484 [1,0,0,0,1,0|1,0,0]=3 188 B17R2.247 O=C(O)Cc1cccc(-c2ccccn2)c1 Amb22493988 [1,0,0,0,1,0|1,0,0]=3 189 B17R2.247 O=C(O)Cc1cccc(-c2cccnc2)c1 Amb2690437 [1,0,0,0,1,0|1,0,0]=3 190 B17R2.247 O=C(O)Cc1ccnc(-c2ccccc2)c1 Amb19957354 [1,0,0,0,1,0|1,0,0]=3 191 B17R2.247 O=C(O)Cc1ccnc(-c2ccccc2)n1 Amb18174796 [1,0,0,0,1,0|2,0,0]=4 192 B17R2.247 O=C(O)Cc1cncc(-c2ccccc2)n1 Amb18174776 [1,0,0,0,1,0|2,0,0]=4 193 B17R2.247 O=C(O)Cc1nccc(-c2ccccc2)n1 Amb18866505 [1,0,0,0,1,0|2,0,0]=4 194 B17R2.2387 CC(C(=O)O)c1ccc(-c2ccccc2)s1 Amb33080945 [0,0,0,0,2,0|1,0,0]=3 195 B17R2.2387 CC(C(=O)O)c1cnn(-c2ccccc2)c1 Amb33081794 [0,0,0,0,2,0|2,0,0]=4 196 B17R2.2387 CC(C(=O)O)n1cnc(-c2ccccc2)c1 Amb18255251 [0,0,0,0,2,0|2,0,0]=4 197 B17R2.2387 NC(C(=O)O)c1ccc(-c2ccccc2)s1 Amb33080929 [0,0,0,0,2,0|2,0,0]=4 198 B17R2.2387 O=C(O)C(O)c1ccc(-c2ccccc2)s1 Amb33080933 [0,0,0,0,2,0|2,0,0]=4 199 B17R2.2391 CC(C(=O)O)c1ccnn1-c2ccccc2 Amb32712948 [0,0,0,0,2,0|2,0,0]=4 200 B17R2.2391 CC(C(=O)O)c1nccn1-c2ccccc2 Amb32712947 [0,0,0,0,2,0|2,0,0]=4 201 B17R2.2391 CC(C(=O)O)n1ccnc1-c2ccccc2 Amb18972077 [0,0,0,0,2,0|2,0,0]=4 202 B17R2.2391 CC(C(=O)O)n1cncc1-c2ccccc2 Amb18255264 [0,0,0,0,2,0|2,0,0]=4 203 B19R2.12673 C#CC(C)c1cccc(OCc2ccccc2)c1 Amb32952199 [1,0,0,0,0,1|1,0,1]=4 204 B19R2.12673 CC(C#N)c1cccc(OCc2ccccc2)c1 Amb25381497 [1,0,0,0,0,1|1,0,1]=4 205 B19R2.12673 O=CC(=O)c1cccc(OCc2ccccc2)c1 Amb10067956 [1,0,0,0,0,1|1,0,1]=4 206 B19R2.12673 [C-]#[N+]C(C)c1cccc(OCc2ccccc2)c1 Amb3973429 [1,0,0,0,0,1|2,0,0]=4 207 B19R2.4607 CC(=O)\C=C\c1cccc(Oc2ccccc2)c1 Amb33081797 [1,0,0,0,0,1|1,0,1]=4 208 B19R2.4607 NC(=O)COc1cccc(Oc2ccccc2)c1 Amb23490663 [1,0,0,0,0,1|1,0,0]=3 209 B19R2.4607 O=C(Cl)COc1cccc(Oc2ccccc2)c1 Amb23596345 [1,0,0,0,0,1|1,0,0]=3 210 B19R2.4607 O=C(O)CCc1cccc(Oc2ccccc2)c1 Amb3934533 [1,0,0,0,0,1|0,0,0]=2 211 B19R2.4607 O=C(O)COc1cccc(Oc2ccccc2)c1 Amb1110421 [1,0,0,0,0,1|0,0,0]=2 212 B19R2.4607 O=C(O)COc1cccc(Oc2ccccn2)c1 Amb329177 [1,0,0,0,0,1|1,0,0]=3 213 B19R2.4607 O=C(O)\C=C\c1cccc(Oc2ccccc2)c1 Amb1215671 [1,0,0,0,0,1|0,0,1]=3 214 B19R2.13500 CC(=O)Cc1cccc(OCc2ccccc2)c1 Amb6298648 [1,0,0,0,0,1|1,0,0]=3 215 B19R2.13500 O=C(Cl)Nc1cccc(OCc2ccccc2)c1 Amb35625654 [1,0,0,0,0,1|2,0,0]=4 216 B19R2.13500 O=C(O)Cc1cccc(OCc2ccccc2)c1 Amb2234862 [1,0,0,0,0,1|0,0,0]=2 217 B19R2.13500 O=C(O)Cc1cccc(OCc2ccccn2)c1 Amb28686789 [1,0,0,0,0,1|1,0,0]=3 218 B19R2.13500 O=C(O)Cc1cccc(OCc2cccnc2)c1 Amb22058969 [1,0,0,0,0,1|1,0,0]=3 219 B19R2.13500 O=C(O)Cc1cccc(OCc2ccncc2)c1 Amb28686788 [1,0,0,0,0,1|1,0,0]=3 220 B19R2.2635 C=C(C(=O)O)c1ccc(Oc2ccccc2)cc1 Amb18577334 [0,0,0,0,1,1|0,0,2]=4 221 B19R2.2635 CC(C(=O)O)c1ccc(Nc2ccccn2)cc1 Amb18664334 [0,0,0,0,1,1|2,0,0]=4 222 B19R2.2635 CC(C(=O)O)c1ccc(Oc2ccccc2)cc1 Amb18577875 [0,0,0,0,1,1|0,0,0]=2 223 B19R2.2635 NC(C(=O)O)c1ccc(Oc2ccccc2)cc1 Amb2684129 [0,0,0,0,1,1|1,0,0]=3 224 B19R2.2635 O=C(O)C(=O)c1ccc(Oc2ccccc2)cc1 Amb8971411 [0,0,0,0,1,1|1,0,1]=4 225 B19R2.2635 O=C(O)C(Cl)c1ccc(Oc2ccccc2)cc1 Amb18590619 [0,0,0,0,1,1|1,0,0]=3 226 B19R2.2635 O=C(O)C(O)c1ccc(Oc2ccccc2)cc1 Amb18872969 [0,0,0,0,1,1|1,0,0]=3 227 B19R2.2632 CC(Nc1cc(-c2ccccc2)ncn1)C(=O)O Amb4275076 [0,0,0,0,1,1|2,0,0]=4 228 B19R2.2632 CC(Oc1cccc(-c2ccccc2)c1)C(=O)O Amb17159248 [0,0,0,0,1,1|0,0,0]=2 229 B19R2.2632 CC(Sc1cc(-c2ccccc2)ncn1)C(=O)O Amb5724258 [0,0,0,0,1,1|2,0,0]=4 230 B19R2.2632 NC(Cc1cccc(-c2ccccc2)c1)C(=O)O Amb33930264 [0,0,0,0,1,1|1,0,0]=3 231 B19R2.2632 NC(Cc1cccc(-c2ccccn2)c1)C(=O)O Amb33521757 [0,0,0,0,1,1|2,0,0]=4 232 B19R2.2632 N[C@@H](Cc1cccc(-c2ccccc2)c1)C(=O)O Amb33802192 [0,0,0,0,1,1|1,0,0]=3 233 B19R2.2632 N[C@H](Cc1cccc(-c2ccccc2)c1)C(=O)O Amb33802191 [0,0,0,0,1,1|1,0,0]=3 234 B19R2.2632 O=C(O)C(=O)Nc1cccc(-c2ccccc2)c1 Amb31173379 [0,0,0,0,1,1|1,0,1]=4 235 B19R2.4207 CC(CC(=O)O)c1cccc(-c2ccccc2)c1 Amb18271858 [0,0,0,0,1,1|0,0,0]=2 236 B19R2.4207 CC(CC(=O)O)c1cccc(-c2ccccn2)c1 Amb18935979 [0,0,0,0,1,1|1,0,0]=3 237 B19R2.4207 CC(CC(=O)O)c1cccc(-c2cccnc2)c1 Amb18935968 [0,0,0,0,1,1|1,0,0]=3 238 B19R2.4207 CC(CC(=O)O)c1cccc(-c2ccncc2)c1 Amb18935956 [0,0,0,0,1,1|1,0,0]=3 239 B19R2.4207 CC(CC(=O)O)c1cccc(-c2cncnc2)c1 Amb18935943 [0,0,0,0,1,1|2,0,0]=4 240 B19R2.4207 CC(CC(=O)O)c1cncc(-c2ccccn2)c1 Amb18935977 [0,0,0,0,1,1|2,0,0]=4 241 B19R2.4207 CC(CC(=O)O)c1cncc(-c2cccnc2)c1 Amb18935966 [0,0,0,0,1,1|2,0,0]=4 242 B19R2.4207 CC(CC(=O)O)c1cncc(-c2ccncc2)c1 Amb18935954 [0,0,0,0,1,1|2,0,0]=4 243 B19R2.4207 C\C(=C/C(=O)O)c1cccc(-c2cccnc2)c1 Amb18936291 [0,0,0,0,1,1|1,0,1]=4 244 B19R2.4207 C\C(=C/C(=O)O)c1cncc(-c2ccccc2)c1 Amb18272241 [0,0,0,0,1,1|1,0,1]=4 245 B19R2.18033 C=C(C(=O)O)c1ccccc1Oc2ccccc2 Amb32951607 [0,0,0,0,1,1|0,0,2]=4 246 B19R2.18033 CC(C(=O)O)c1ccccc1Oc2ccccc2 Amb32951415 [0,0,0,0,1,1|0,0,0]=2 247 B19R2.18033 NC(C(=O)O)c1ccccc1Oc2ccccc2 Amb32952245 [0,0,0,0,1,1|1,0,0]=3 248 B19R2.18033 O=C(O)C(=O)c1ccccc1Oc2ccccc2 Amb32951403 [0,0,0,0,1,1|1,0,1]=4 249 B19R2.18033 O=C(O)C(O)c1ccccc1Oc2ccccc2 Amb32951404 [0,0,0,0,1,1|1,0,0]=3 250 B21R2.13035 NC(CC(=O)O)Cc1cccc(Oc2ccccc2)c1 Amb33035033 [0,0,0,0,0,2|1,0,0]=3 251 B21R2.32700 NC(Cc1cccc(OCc2ccccc2)c1)C(=O)O Amb3793868 [0,0,0,0,0,2|1,0,0]=3 252 B21R2.32700 O=C(O)C(O)Cc1cccc(OCc2ccccc2)c1 Amb33353399 [0,0,0,0,0,2|1,0,0]=3 253 B21R2.2860 O=C(O)CCC(=O)c1cccc(Oc2ccccc2)c1 Amb6305145 [0,0,0,0,0,2|1,0,1]=4 254 B21R2.2860 O=C(O)CNC(=O)c1cccc(Oc2ccccc2)c1 Amb17147016 [0,0,0,0,0,2|1,0,1]=4 255 B21R2.97692 NC(=O)CC(N)c1cccc(OCc2ccccc2)c1 Amb33255138 [0,0,0,0,0,2|2,0,0]=4 256 B21R2.97692 NC(=O)C[C@@H](N)c1cccc(OCc2ccccc2)c1 Amb33308273 [0,0,0,0,0,2|2,0,0]=4 257 B21R2.97692 NC(=O)C[C@H](N)c1cccc(OCc2ccccc2)c1 Amb33254223 [0,0,0,0,0,2|2,0,0]=4 258 B21R2.97692 NC(CC(=O)O)c1cccc(OCc2ccccc2)c1 Amb2697396 [0,0,0,0,0,2|1,0,0]=3 259 B21R2.97692 N[C@@H](CC(=O)O)c1cccc(OCc2ccccc2)c1 Amb33255180 [0,0,0,0,0,2|1,0,0]=3 260 B21R2.97692 N[C@H](CC(=O)O)c1cccc(OCc2ccccc2)c1 Amb32787318 [0,0,0,0,0,2|1,0,0]=3