0 B19R3.1709309 Cc1cc(O)cc2C(=O)c3ccccc3Sc21 Amb19523959 [0,0,0,0,0,0|2,0,0]=2 1 B19R3.1709309 Oc1cc(C)c2c(c1)c(=O)c3c(s2)cccc3 Amb1027045 [0,0,0,0,0,0|2,0,0]=2 2 B18R3.5896 CN1c2cccc(O)c2Nc3ccccc13 Amb22733022 [1,0,0,0,0,0|3,0,0]=4 3 B18R3.5896 NC1=CC=CN2C(=O)c3ccccc3N=C21 Amb18131296 [1,0,0,0,0,0|2,0,1]=4 4 B18R3.5896 Nc1c2cccc(O)c2[n]c3ccccc31 Amb21855944 [1,0,0,0,0,0|2,0,1]=4 5 B18R3.5896 Nc1cccc2C(=O)c3ccccc3Nc21 Amb18131144 [1,0,0,0,0,0|1,0,0]=2 6 B18R3.5896 Nc1cccc2c1[nH]c3ccccc3c2=O Amb2241155 [1,0,0,0,0,0|1,0,0]=2 7 B18R3.5896 O=C1c2cccc(Cl)c2Nc3ccccc31 Amb19541621 [1,0,0,0,0,0|1,0,0]=2 8 B18R3.5896 O=C1c2cccc(Cl)c2Sc3[n]cccc31 Amb22448216 [1,0,0,0,0,0|3,0,0]=4 9 B18R3.5896 Oc1cccc2C(=O)c3ccccc3Nc21 Amb20663734 [1,0,0,0,0,0|1,0,0]=2 10 B18R3.5896 Oc1cccc2C(=O)c3ccccc3Oc21 Amb18131363 [1,0,0,0,0,0|2,0,0]=3 11 B18R3.5896 [O-][n+]1c2ccccc2nc3c1cccc3C Amb10810379 [1,0,0,0,0,0|1,0,2]=4 12 B18R3.52086 Cc1cc2C(=O)c3ccccc3Oc2cc1 Amb19987204 [1,0,0,0,0,0|1,0,0]=2 13 B18R3.52086 Cc1cc2c(cc1)[n]c3ccccc3[n+]2[O-] Amb21811969 [1,0,0,0,0,0|1,0,2]=4 14 B18R3.52086 Nc1cc2C(=O)c3ccc[n]c3Oc2cc1 Amb18657227 [1,0,0,0,0,0|3,0,0]=4 15 B18R3.52086 Nc1cc2C(=O)c3ccccc3Nc2cc1 Amb19958722 [1,0,0,0,0,0|1,0,0]=2 16 B18R3.52086 Nc1cc2C(=O)c3ccccc3Nc2cc1 Amb20179360 [1,0,0,0,0,0|1,0,0]=2 17 B18R3.52086 Nc1cc2C(=O)c3ccccc3Oc2cc1 Amb19148195 [1,0,0,0,0,0|2,0,0]=3 18 B18R3.52086 Nc1cc2C(=O)c3ccccc3Sc2cc1 Amb18135020 [1,0,0,0,0,0|2,0,0]=3 19 B18R3.52086 O=C1c2ccc[n]c2Sc3ccc(Cl)cc31 Amb22448217 [1,0,0,0,0,0|3,0,0]=4 20 B18R3.52086 O=C1c2ccccc2Cc3ccc(Cl)cc31 Amb22467314 [1,0,0,0,0,0|2,0,0]=3 21 B18R3.52086 O=C1c2ccccc2Nc3ccc(Br)cc31 Amb23448563 [1,0,0,0,0,0|1,0,0]=2 22 B18R3.52086 O=C1c2ccccc2Nc3ccc(Cl)cc31 Amb18004903 [1,0,0,0,0,0|1,0,0]=2 23 B18R3.52086 O=C1c2ccccc2Nc3ccc(I)cc31 Amb19540661 [1,0,0,0,0,0|1,0,0]=2 24 B18R3.52086 O=C1c2ccccc2Oc3ccc(Br)cc31 Amb19654287 [1,0,0,0,0,0|2,0,0]=3 25 B18R3.52086 O=C1c2ccccc2Oc3ccc(Cl)cc31 Amb20029769 [1,0,0,0,0,0|2,0,0]=3 26 B18R3.52086 O=C1c2ccccc2Sc3ccc(Br)cc31 Amb19655001 [1,0,0,0,0,0|2,0,0]=3 27 B18R3.52086 O=C1c2ccccc2Sc3ccc(Cl)cc31 Amb20033953 [1,0,0,0,0,0|2,0,0]=3 28 B18R3.52086 O=C1c2ccccc2Sc3ccc(F)cc31 Amb22482823 [1,0,0,0,0,0|2,0,0]=3 29 B18R3.52086 Oc1cc2C(=O)c3ccccc3Nc2cc1 Amb19514031 [1,0,0,0,0,0|1,0,0]=2 30 B18R3.52086 Oc1cc2C(=O)c3ccccc3Sc2cc1 Amb18660071 [1,0,0,0,0,0|2,0,0]=3 31 B18R3.52086 Oc1ccc2c(c1)C(=O)c3c(C2)cccc3 Amb17595654 [1,0,0,0,0,0|2,0,0]=3 32 B20R3.1948328 O=C1c2c(Sc3ccccc31)c(Cl)cc(Cl)c2Cl Amb22000053 [0,1,0,0,0,0|3,0,0]=4 33 B20R3.4308849 Cc1cc(Br)c2C(=O)c3ccccc3C(=O)c2c1 Amb17843260 [0,1,0,0,0,0|2,0,0]=3 34 B20R3.4308849 Cc1cc(C)c2c(n1)C(=O)c3c(C2=O)cccc3 Amb16204913 [0,1,0,0,0,0|2,0,0]=3 35 B20R3.4308849 Cc1cc(N)c2C(=O)c3ccccc3C(=O)c2c1 Amb17843259 [0,1,0,0,0,0|2,0,0]=3 36 B20R3.4308849 O=C1c2cc(Br)cc(Br)c2C(=O)c3ccccc13 Amb24183006 [0,1,0,0,0,0|3,0,0]=4 37 B18R2.1017 Cc1cc(C)c(cc1)Sc2ccccc2CO Amb23974628 [0,0,1,0,0,0|1,0,2]=4 38 B18R2.1017 NCc1cccnc1Nc2ccc(cc2C)C Amb17247833 [0,0,1,0,0,0|2,0,1]=4 39 B18R2.1017 O=Cc1ccccc1Oc2ccc(cc2Cl)Cl Amb2413103 [0,0,1,0,0,0|3,0,0]=4 40 B18R2.1017 O=Cc1ccccc1Oc2ccc(cc2F)Br Amb2415929 [0,0,1,0,0,0|3,0,0]=4 41 B18R2.1017 OCc1cccnc1Nc2ccc(cc2C)C Amb17248188 [0,0,1,0,0,0|1,0,2]=4 42 B18R2.12620 Cc1c(N)cc(Cl)cc1C(=O)c2ccccc2 Amb24061284 [0,0,1,0,0,0|3,0,0]=4 43 B18R2.12620 Cc1cc(C(N)c2ccccc2)c(O)c(C)c1 Amb24106910 [0,0,1,0,0,0|2,0,1]=4 44 B18R2.12620 Cc1cc(C)c(c(c1)C(c2ccccc2)O)N Amb2386883 [0,0,1,0,0,0|0,0,2]=3 45 B18R2.12620 Fc1cc(F)c(c(c1)C(=O)c2ccccc2)F Amb10839082 [0,0,1,0,0,0|3,0,0]=4 46 B18R2.12620 Nc1c(Br)cc(Br)cc1C(=O)c2ccccc2 Amb17777086 [0,0,1,0,0,0|2,0,0]=3 47 B18R2.2936287 Cc1cc(C)cc(c1)C(=O)c2cnccc2C Amb13891523 [0,0,1,0,0,0|2,0,0]=3 48 B18R2.2936287 Cc1cc(C)cc(c1)C(=O)c2ncccc2C Amb13891140 [0,0,1,0,0,0|2,0,0]=3 49 B18R2.2936287 Cc1cc(cc(C)c1)C(=O)c2ccccc2N Amb24183804 [0,0,1,0,0,0|0,0,0]=1 50 B18R2.2936287 Cc1cc(cc(C)c1)C(N)c2ccccc2Cl Amb23942618 [0,0,1,0,0,0|2,0,1]=4 51 B18R2.2936287 Cc1ccccc1C(N)c2cc(C)cc(C)c2 Amb23921977 [0,0,1,0,0,0|2,0,1]=4 52 B18R2.2936287 O=C(c1ccccc1Cl)c2cc(F)cc(F)c2 Amb22000617 [0,0,1,0,0,0|3,0,0]=4 53 B18R3.57836 Cc1[n][n](C)c2Nc3ccccc3C(=O)c12 Amb22342305 [0,0,0,0,1,0|2,0,0]=3 54 B18R3.57896 Cc1cc(C)c2c(c1)C(=O)c3c2cccc3 Amb1014561 [0,0,0,0,1,0|0,0,0]=1 55 B18R3.950298 Cc1cc2c(=O)c3CNCc3[nH]c2c(C)c1 Amb24070899 [0,0,0,0,1,0|1,0,2]=4 56 B17R2.1470 O=Cc1ccccc1Nc2ccccc2Cl Amb22753562 [1,0,1,0,0,0|1,0,0]=3 57 B17R2.1470 O=Cc1ccccc1Sc2ccccc2Cl Amb10808666 [1,0,1,0,0,0|2,0,0]=4 58 B17R2.2357 Cc1ccc(Cc2c[n]ccc2C=O)cc1 Amb18175950 [1,0,1,0,0,0|2,0,0]=4 59 B17R2.2357 O=Cc1ccccc1Oc2ccc(cc2)C Amb2410382 [1,0,1,0,0,0|1,0,0]=3 60 B17R2.2357 O=Cc1ccccc1Oc2ccc(cc2)Cl Amb2410347 [1,0,1,0,0,0|2,0,0]=4 61 B17R2.2357 O=Cc1ccccc1Oc2ccc(cc2)F Amb2413112 [1,0,1,0,0,0|2,0,0]=4 62 B17R2.2357 O=Cc1ccccc1Oc2ccc(cc2)I Amb2415971 [1,0,1,0,0,0|2,0,0]=4 63 B17R2.2357 O=Cc1cccnc1Oc2ccc(cc2)C Amb2421763 [1,0,1,0,0,0|2,0,0]=4 64 B17R2.2357 O=Cc1cccnc1Sc2ccc(cc2)C Amb2418602 [1,0,1,0,0,0|2,0,0]=4 65 B17R2.42570 Cc1cc(C)c(cc1)[SH2]c2ccccc2N Amb18038672 [1,0,1,0,0,0|2,0,0]=4 66 B17R2.42570 Cc1cc(Cl)ccc1Nc2ccccc2N Amb18573814 [1,0,1,0,0,0|2,0,0]=4 67 B17R2.925 Cc1cc(OC)c(cc1)Nc2ccccc2 Amb24084553 [1,0,1,0,0,0|2,0,0]=4 68 B17R2.925 O=Cc1cc(F)ccc1Sc2ccccc2 Amb21984032 [1,0,1,0,0,0|2,0,0]=4 69 B17R2.3218 Cc1cc(C)[n]c([n]1)C(=O)c2ccccc2 Amb24309326 [1,0,1,0,0,0|2,0,0]=4 70 B17R2.3218 Cc1cc(C)cc(c1)C(=O)c2cccnc2 Amb13891248 [1,0,1,0,0,0|1,0,0]=3 71 B17R2.3218 Cc1cc([n]c(C)[n]1)C(=O)c2ccccc2 Amb24309332 [1,0,1,0,0,0|2,0,0]=4 72 B17R2.3218 Nc1cc(Cl)cc(c1)C(=O)c2ccccc2 Amb22465275 [1,0,1,0,0,0|2,0,0]=4 73 B17R2.5305 Cc1cccc(c1O)C(=O)c2ccccc2 Amb24065652 [1,0,1,0,0,0|1,0,0]=3 74 B17R2.5305 Nc1c(Cl)[n]ccc1C(=O)c2ccccc2 Amb20242695 [1,0,1,0,0,0|2,0,0]=4 75 B17R2.5305 Nc1c(Cl)cccc1C(=O)c2ccccc2 Amb18661259 [1,0,1,0,0,0|1,0,0]=3 76 B17R2.5305 O=C(c1cccc(Br)c1F)c2ccccc2 Amb22002670 [1,0,1,0,0,0|2,0,0]=4 77 B17R2.5305 O=C(c1cccc(c1C)C)c2cccnc2 Amb13891246 [1,0,1,0,0,0|2,0,0]=4 78 B17R2.5305 O=C(c1cccc(c1C)N)c2ccccc2 Amb17140596 [1,0,1,0,0,0|2,0,0]=4 79 B17R2.5356 Brc1ccc(c(c1)C(=O)c2ccccc2)N Amb1256047 [1,0,1,0,0,0|1,0,0]=3 80 B17R2.5356 Brc1ccc(c(c1)C(=O)c2ccccn2)N Amb17597455 [1,0,1,0,0,0|2,0,0]=4 81 B17R2.5356 C=C(c1cc(Cl)ccc1N)c2ccccc2 Amb24092681 [1,0,1,0,0,0|2,0,0]=4 82 B17R2.5356 Cc1cc(C(=O)c2ccccc2)c(F)cc1 Amb24079970 [1,0,1,0,0,0|1,0,0]=3 83 B17R2.5356 Cc1ccc(Br)cc1C(=O)c2ccccc2 Amb22170354 [1,0,1,0,0,0|2,0,0]=4 84 B17R2.5356 Cc1ccc(Cl)cc1C(=O)c2ccccc2 Amb22480140 [1,0,1,0,0,0|2,0,0]=4 85 B17R2.5356 Cc1ccc(F)cc1C(=O)c2ccccc2 Amb24081503 [1,0,1,0,0,0|2,0,0]=4 86 B17R2.5356 Cc1ccc(N)cc1C(=O)c2ccccc2 Amb22755881 [1,0,1,0,0,0|2,0,0]=4 87 B17R2.5356 Cc1ccc(N)cc1C(=O)c2ccccc2 Amb22755984 [1,0,1,0,0,0|2,0,0]=4 88 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)C Amb1547802 [1,0,1,0,0,0|1,0,0]=3 89 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)N Amb2583133 [1,0,1,0,0,0|0,0,0]=2 90 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)S Amb10571829 [1,0,1,0,0,0|1,0,0]=3 91 B17R2.5356 Cc1ccc(c(c1)C(c2ccccc2)O)N Amb2582534 [1,0,1,0,0,0|0,0,2]=4 92 B17R2.5356 Clc1ccc(c(c1)C(=N)c2ccccc2)N Amb17596328 [1,0,1,0,0,0|2,0,0]=4 93 B17R2.5356 Fc1ccc(c(c1)C(=O)c2ccccc2)O Amb10840925 [1,0,1,0,0,0|2,0,0]=4 94 B17R2.5356 Nc1ccc(Br)cc1C(=O)c2c[n]ccc2 Amb22233932 [1,0,1,0,0,0|2,0,0]=4 95 B17R2.5356 Nc1ccc(Br)cc1C(=O)c2cc[n]cc2 Amb22233933 [1,0,1,0,0,0|2,0,0]=4 96 B17R2.5356 Nc1ccc(Cl)cc1C(=O)c2cccc[n]2 Amb18135508 [1,0,1,0,0,0|2,0,0]=4 97 B17R2.5356 Nc1ccc(I)cc1C(=O)c2ccccc2 Amb20620267 [1,0,1,0,0,0|1,0,0]=3 98 B17R2.5356 Nc1ccc(c(c1)C(=O)c2ccccc2)N Amb2583132 [1,0,1,0,0,0|1,0,0]=3 99 B17R2.5356 O=C(c1cc(Cl)ccc1Cl)c2ccccc2 Amb24061259 [1,0,1,0,0,0|2,0,0]=4 100 B17R2.23434 Cc1cc(Nc2ccccc2)c(N)c(C)c1 Amb23263341 [1,0,1,0,0,0|1,0,0]=3 101 B17R2.23434 Cc1cc(Oc2ccccc2)c(N)c(C)c1 Amb23263368 [1,0,1,0,0,0|1,0,0]=3 102 B17R2.23434 Cc1cc(Sc2ccccc2)c(N)c(C)c1 Amb23263378 [1,0,1,0,0,0|1,0,0]=3 103 B17R2.23434 Cc1nc(Nc2ccccc2)c(c(c1)C)N Amb17065535 [1,0,1,0,0,0|2,0,0]=4 104 B17R2.41752 Cc1cc(ccc1)C(=O)c2ccccc2S Amb24068452 [1,0,1,0,0,0|1,0,0]=3 105 B17R2.41752 Cc1cccc(c1)C(=O)c2cnccc2C Amb13891462 [1,0,1,0,0,0|2,0,0]=4 106 B17R2.41752 Cc1cccc(c1)C(=O)c2ncccc2C Amb13891079 [1,0,1,0,0,0|2,0,0]=4 107 B17R2.41752 Cc1cccc(n1)C(=O)c2ccccc2Br Amb13890887 [1,0,1,0,0,0|2,0,0]=4 108 B17R2.41752 Cc1cccc(n1)C(=O)c2ccccc2C Amb13890875 [1,0,1,0,0,0|2,0,0]=4 109 B17R2.41752 Cc1cccc(n1)C(=O)c2ccccc2Cl Amb13890884 [1,0,1,0,0,0|2,0,0]=4 110 B17R2.41752 Cc1cccc(n1)C(=O)c2ccccc2F Amb13890881 [1,0,1,0,0,0|2,0,0]=4 111 B17R2.41752 Cc1cccc(n1)C(=O)c2ccccc2I Amb13890890 [1,0,1,0,0,0|2,0,0]=4 112 B17R2.41752 Cc1ccnc(c1)C(=O)c2ccccc2Br Amb13891022 [1,0,1,0,0,0|2,0,0]=4 113 B17R2.41752 Cc1ccnc(c1)C(=O)c2ccccc2C Amb13891010 [1,0,1,0,0,0|2,0,0]=4 114 B17R2.41752 Cc1ccnc(c1)C(=O)c2ccccc2Cl Amb13891019 [1,0,1,0,0,0|2,0,0]=4 115 B17R2.41752 Cc1ccnc(c1)C(=O)c2ccccc2F Amb13891016 [1,0,1,0,0,0|2,0,0]=4 116 B17R2.41752 Cc1ccnc(c1)C(=O)c2ccccc2I Amb13891025 [1,0,1,0,0,0|2,0,0]=4 117 B17R2.41752 Cc1nccc(c1)C(=O)c2ccccc2Br Amb13891611 [1,0,1,0,0,0|2,0,0]=4 118 B17R2.41752 Cc1nccc(c1)C(=O)c2ccccc2C Amb13891599 [1,0,1,0,0,0|2,0,0]=4 119 B17R2.41752 Cc1nccc(c1)C(=O)c2ccccc2Cl Amb13891608 [1,0,1,0,0,0|2,0,0]=4 120 B17R2.41752 Cc1nccc(c1)C(=O)c2ccccc2F Amb13891605 [1,0,1,0,0,0|2,0,0]=4 121 B17R2.41752 Cc1nccc(c1)C(=O)c2ccccc2I Amb13891614 [1,0,1,0,0,0|2,0,0]=4 122 B17R2.41752 Nc1cccc(c1)C(=O)c2ccccc2C Amb17339669 [1,0,1,0,0,0|2,0,0]=4 123 B17R2.41752 Nc1cccc(c1)C(=O)c2ccccc2Cl Amb17344981 [1,0,1,0,0,0|2,0,0]=4 124 B17R2.41752 Nc1cccc(c1)C(=O)c2ccccc2F Amb17340341 [1,0,1,0,0,0|2,0,0]=4 125 B17R2.41752 Nc1ccccc1C(=O)c2cc(Cl)ccc2 Amb18661254 [1,0,1,0,0,0|1,0,0]=3 126 B17R2.41752 O=C(c1ccccc1Cl)c2cc(I)ccc2 Amb21961929 [1,0,1,0,0,0|2,0,0]=4 127 B17R2.41752 O=C(c1ccccc1F)c2cc(I)ccc2 Amb22000631 [1,0,1,0,0,0|2,0,0]=4 128 B17R2.41752 O=C(c1ccccc1I)c2cc(Cl)ccc2 Amb22000624 [1,0,1,0,0,0|2,0,0]=4 129 B17R2.41752 O=C(c1ccccc1I)c2cc(F)ccc2 Amb22000630 [1,0,1,0,0,0|2,0,0]=4 130 B17R2.41752 Oc1cccc(c1)C(=O)c2ccccc2O Amb17595801 [1,0,1,0,0,0|2,0,0]=4 131 B17R2.268224 Cc1cc(cc(c1)C)Oc2ncccc2N Amb1138776 [1,0,1,0,0,0|2,0,0]=4 132 B17R2.268224 Cc1ccccc1Oc2cc(C)cc(C)c2 Amb24323302 [1,0,1,0,0,0|2,0,0]=4 133 B17R3.35227 Ic1c2ccccc2cc3ccccc31 Amb21964029 [2,0,0,0,0,0|2,0,0]=4 134 B17R3.35227 Nc1c2ccccc2[nH+]c3c1cccc3 Amb10554423 [2,0,0,0,0,0|1,0,1]=4 135 B17R3.35227 Nc1c2ccccc2[n]c3ccccc31 Amb22504609 [2,0,0,0,0,0|1,0,1]=4 136 B17R3.35227 Nc1c2ccccc2cc3c1cccc3 Amb16233931 [2,0,0,0,0,0|2,0,0]=4 137 B17R3.35227 Nc1c2ccccc2cc3ccccc31 Amb22739740 [2,0,0,0,0,0|2,0,0]=4 138 B17R3.35227 Nc1c2ccccc2nc3c1cccc3 Amb1150362 [2,0,0,0,0,0|1,0,1]=4 139 B17R3.35227 O=C1c2[n]cccc2Oc3ccccc31 Amb20665679 [2,0,0,0,0,0|2,0,0]=4 140 B17R3.35227 O=C1c2ccc[n]c2Nc3ccccc31 Amb20670054 [2,0,0,0,0,0|1,0,0]=3 141 B17R3.35227 O=C1c2ccc[n]c2Oc3ccccc31 Amb19664918 [2,0,0,0,0,0|2,0,0]=4 142 B17R3.35227 O=C1c2ccc[n]c2Sc3ccccc31 Amb21947652 [2,0,0,0,0,0|2,0,0]=4 143 B17R3.35227 O=C1c2ccccc2C=C3C=CC=CN31 Amb21948290 [2,0,0,0,0,0|2,0,0]=4 144 B17R3.35227 O=C1c2ccccc2N=C3C=CC=CN31 Amb19667433 [2,0,0,0,0,0|1,0,1]=4 145 B17R3.35227 O=C1c2ccccc2NC3C=CC=CN13 Amb22477787 [2,0,0,0,0,0|1,0,1]=4 146 B17R3.35227 O=C1c2ccccc2Nc3ccccc31 Amb19654473 [2,0,0,0,0,0|0,0,0]=2 147 B17R3.35227 O=C1c2ccccc2Oc3ccccc31 Amb18511456 [2,0,0,0,0,0|1,0,0]=3 148 B17R3.35227 O=C1c2ccccc2Sc3ccccc31 Amb19895317 [2,0,0,0,0,0|1,0,0]=3 149 B17R3.35227 O=C1c2ccccc2[Se]c3ccccc31 Amb22078062 [2,0,0,0,0,0|1,0,0]=3 150 B17R3.35227 O=C1c2ccccc2[Te]c3c1cccc3 Amb2386848 [2,0,0,0,0,0|1,0,0]=3 151 B17R3.35227 O=S1c2ccccc2Oc3c1cccc3 Amb1008425 [2,0,0,0,0,0|2,0,0]=4 152 B17R3.35227 O=c1c2ccccc2nc3n1cccc3 Amb1062708 [2,0,0,0,0,0|1,0,1]=4 153 B17R3.35227 O=c1c2ccccc2oc3c1cccc3 Amb1157245 [2,0,0,0,0,0|1,0,0]=3 154 B17R3.35227 O=c1c2ccccc2sc3c1cccc3 Amb2386849 [2,0,0,0,0,0|1,0,0]=3 155 B17R3.35227 O=c1c2ccccc2sc3c1cccn3 Amb2384116 [2,0,0,0,0,0|2,0,0]=4 156 B17R3.35227 ON1c2ccccc2Nc3ccccc13 Amb20246855 [2,0,0,0,0,0|1,0,1]=4 157 B17R3.35227 Oc1c2ccccc2cc3ccccc31 Amb22751732 [2,0,0,0,0,0|1,0,1]=4 158 B17R3.35227 Oc1c2ccccc2nc3c1cccc3 Amb1263320 [2,0,0,0,0,0|0,0,2]=4 159 B17R3.35227 S=C1c2ccccc2Nc3ccccc31 Amb19517370 [2,0,0,0,0,0|0,1,0]=3 160 B17R3.35227 S=C1c2ccccc2Oc3ccccc31 Amb19652423 [2,0,0,0,0,0|1,1,0]=4 161 B17R3.35227 S=c1c2ccccc2[nH]c3c1cccc3 Amb1815454 [2,0,0,0,0,0|0,1,0]=3 162 B17R3.50126 Brc1cccc2cc3ccccc3cc21 Amb24323283 [2,0,0,0,0,0|2,0,0]=4 163 B17R3.50126 Cc1cccc2cc3ccccc3cc21 Amb22347910 [2,0,0,0,0,0|1,0,0]=3 164 B17R3.50126 Clc1cccc2c1Nc3ccccc3O2 Amb10554108 [2,0,0,0,0,0|2,0,0]=4 165 B17R3.50126 Clc1cccc2cc3ccccc3cc21 Amb22360713 [2,0,0,0,0,0|2,0,0]=4 166 B17R3.50126 Fc1cccc2cc3ccccc3cc21 Amb24078377 [2,0,0,0,0,0|2,0,0]=4 167 B17R3.3205 Brc1ccc2c(c1)cc3c(c2)cccc3 Amb15692618 [2,0,0,0,0,0|2,0,0]=4 168 B17R3.3205 Cc1cc2Cc3ccccc3Sc2cc1 Amb20621733 [2,0,0,0,0,0|1,0,1]=4 169 B17R3.3205 Cc1cc2Nc3ccccc3Sc2cc1 Amb22452690 [2,0,0,0,0,0|2,0,0]=4 170 B17R3.3205 Cc1cc2cc3ccccc3[n]c2cc1 Amb20001034 [2,0,0,0,0,0|0,0,1]=3 171 B17R3.3205 Cc1ccc2c(c1)cc3c(c2)cccc3 Amb10601898 [2,0,0,0,0,0|1,0,0]=3 172 B17R3.3205 Cc1ccc2c(c1)cc3c(c2)cccc3 Amb17613225 [2,0,0,0,0,0|1,0,0]=3 173 B17R3.3205 Clc1cc2Cc3ccccc3Nc2cc1 Amb20247730 [2,0,0,0,0,0|1,0,1]=4 174 B17R3.3205 Clc1cc2cc3ccccc3cc2cc1 Amb20620663 [2,0,0,0,0,0|2,0,0]=4 175 B17R3.3205 Nc1cc2Oc3ccccc3Nc2cc1 Amb18652822 [2,0,0,0,0,0|2,0,0]=4 176 B17R3.3205 Nc1ccc2c(c1)cc3c(n2)cccc3 Amb16191952 [2,0,0,0,0,0|1,0,1]=4 177 B17R3.3205 Nc1ccc2cc3ccccc3cc2c1 Amb17749114 [2,0,0,0,0,0|2,0,0]=4 178 B17R3.3205 Oc1ccc2c(c1)cc3c(c2)cccc3 Amb10603612 [2,0,0,0,0,0|2,0,0]=4 179 B19R2.3832 Cc1cc(C)c(cc1)Nc2cccc(F)c2C#N Amb18577371 [0,1,1,0,0,0|1,0,1]=4 180 B19R2.3832 Cc1cc(C)c(cc1)Nc2cccc(F)c2CN Amb18578842 [0,1,1,0,0,0|1,0,1]=4 181 B19R2.103168 Cc1ccc(Nc2ccccc2[N+]([O-])=O)c(C)c1 Amb17912972 [0,1,1,0,0,0|1,0,0]=3 182 B19R2.103168 Cc1ccc(c(c1)C)Nc2ncccc2C(=O)O Amb1220231 [0,1,1,0,0,0|1,0,0]=3 183 B19R2.103168 Cc1ccc(c(c1)C)Oc2ncccc2C(=O)O Amb1124561 [0,1,1,0,0,0|2,0,0]=4 184 B19R2.103168 Cc1cnc(c(c1)N)Nc2ccccc2C(=O)O Amb17211810 [0,1,1,0,0,0|2,0,0]=4 185 B19R2.166699 Cc1cc(C)c(cc1)Nc2ccc(F)cc2C#N Amb18577384 [0,1,1,0,0,0|1,0,1]=4 186 B19R2.166699 Cc1cc(C)c(cc1)Nc2ccc(F)cc2CN Amb18578874 [0,1,1,0,0,0|1,0,1]=4 187 B19R2.166699 O=Cc1cc(Br)ccc1Nc2ccc(cc2C)Br Amb2166962 [0,1,1,0,0,0|1,0,0]=3 188 B19R2.166699 O=Cc1cc(Cl)ccc1Nc2ccc(cc2C)Br Amb2166975 [0,1,1,0,0,0|1,0,0]=3 189 B19R2.877786 Cc1cc(c(O)c(C)c1)C(=O)c2ccccc2N Amb18057372 [0,1,1,0,0,0|1,0,0]=3 190 B19R2.1290909 Cc1cc(c(O)c(C)c1)C(=O)c2ccc(N)cc2 Amb18057375 [0,1,1,0,0,0|1,0,0]=3 191 B19R2.5828598 Cc1cc(c(O)c(C)c1)C(=O)c2cc(N)ccc2 Amb18057374 [0,1,1,0,0,0|1,0,0]=3 192 B19R2.5863136 CN(c1cc(Br)ccc1N)c2cc(C)cc(C)c2 Amb24002550 [0,1,1,0,0,0|2,0,0]=4 193 B19R3.14453 COc1cccc2C(=O)c3ccccc3Nc21 Amb19772174 [1,1,0,0,0,0|0,0,0]=2 194 B19R3.14453 COc1cccc2c1Oc3ccccc3C2=O Amb19389590 [1,1,0,0,0,0|1,0,0]=3 195 B19R3.152782 Brc1cccc2c1C(=O)c3ccccc3C2=O Amb2227571 [1,1,0,0,0,0|2,0,0]=4 196 B19R3.152782 Fc1cccc2c1C(=O)c3ccccc3C2=O Amb1144483 [1,1,0,0,0,0|2,0,0]=4 197 B19R3.152782 Ic1cccc2c1C(=O)c3ccccc3C2=O Amb2227573 [1,1,0,0,0,0|2,0,0]=4 198 B19R3.152782 Nc1cccc2c1C(=O)c3ccccc3C2=O Amb1198458 [1,1,0,0,0,0|2,0,0]=4 199 B19R3.167834 Cc1ccc(C)c2Sc3ccccc3C(=O)c12 Amb19813151 [1,1,0,0,0,0|1,0,0]=3 200 B19R3.167834 Cc1ccc(c2c1sc3ccccc3c2=O)C Amb1038354 [1,1,0,0,0,0|1,0,0]=3 201 B19R3.167834 Oc1ccc(O)c2Oc3ccccc3C(=O)c12 Amb18659898 [1,1,0,0,0,0|2,0,0]=4 202 B19R3.168686 Nc1cc2Oc3c(F)cccc3C(=O)c2cc1 Amb23480064 [1,1,0,0,0,0|2,0,0]=4 203 B19R3.7790768 Cc1cc2C(=O)c3cccc(N)c3Nc2cc1 Amb20670053 [1,1,0,0,0,0|1,0,0]=3 204 B19R3.7790768 Nc1cccc2C(=O)c3cc(Cl)ccc3Nc21 Amb20670052 [1,1,0,0,0,0|1,0,0]=3 205 B19R3.9666118 Nc1cccc2C(=O)c3cccc(Cl)c3Nc21 Amb20670034 [1,1,0,0,0,0|1,0,0]=3 206 B19R3.67900 Cc1cc2Oc3ccccc3C(=O)c2cc1C Amb17933364 [1,1,0,0,0,0|1,0,0]=3 207 B19R3.67900 O=C1c2cc(Cl)c(Cl)cc2Cc3ccccc31 Amb22754894 [1,1,0,0,0,0|2,0,0]=4 208 B19R3.87163 Clc1ccc2c(c1)S(=O)(=O)c3c(N2)cccc3 Amb10565069 [1,1,0,0,0,0|2,0,0]=4 209 B19R3.169429 Brc1ccc2c(c1)C(=O)c3c(C2=O)cccc3 Amb2227572 [1,1,0,0,0,0|2,0,0]=4 210 B19R3.169429 CN1c2ccc(Br)cc2C(=O)c3ccccc13 Amb23448564 [1,1,0,0,0,0|1,0,0]=3 211 B19R3.169429 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1 Amb17701611 [1,1,0,0,0,0|1,0,0]=3 212 B19R3.169429 Cc1ccc2c(c1)c(Cl)c3c(c2Cl)cccc3 Amb17612618 [1,1,0,0,0,0|2,0,0]=4 213 B19R3.169429 Clc1ccc2c(c1)C(=O)c3c(C2=O)cccc3 Amb2227702 [1,1,0,0,0,0|2,0,0]=4 214 B19R3.169429 Fc1ccc2c(c1)C(=O)c3c(C2=O)cccc3 Amb2227530 [1,1,0,0,0,0|2,0,0]=4 215 B19R3.169429 Oc1ccc2c(c1)C(=O)c3c(C2=O)cccc3 Amb2227548 [1,1,0,0,0,0|2,0,0]=4 216 B19R3.306295 CCc1cc2C(=O)c3ccccc3Sc2cc1 Amb19654973 [1,1,0,0,0,0|1,0,0]=3 217 B19R3.306295 COc1cc2C(=O)c3ccccc3Nc2cc1 Amb19749872 [1,1,0,0,0,0|0,0,0]=2 218 B19R3.306295 COc1cc2C(=O)c3ccccc3Sc2cc1 Amb19654165 [1,1,0,0,0,0|1,0,0]=3 219 B19R3.306295 COc1cc2C(Cl)c3ccccc3Nc2cc1 Amb19894619 [1,1,0,0,0,0|1,0,1]=4 220 B19R3.306295 COc1ccc2Oc3ccccc3C(=O)c2c1 Amb17933853 [1,1,0,0,0,0|1,0,0]=3 221 B19R3.306295 O=C1c2ccccc2Nc3ccc(cc13)C=O Amb24108102 [1,1,0,0,0,0|0,0,1]=3 222 B19R3.438010 Nc1cc2Sc3ccc(F)cc3C(=O)c2cc1 Amb22448211 [1,1,0,0,0,0|2,0,0]=4 223 B19R3.438010 O=C1c2ccc(Cl)cc2Oc3ccc(Cl)cc31 Amb22491713 [1,1,0,0,0,0|2,0,0]=4 224 B19R3.2152927 Cc1cc2C(=O)c3cc(N)ccc3Sc2cc1 Amb18136597 [1,1,0,0,0,0|1,0,0]=3 225 B19R3.2152927 Clc1ccc2c(c1)c(=O)c3c(o2)ccc(c3)Cl Amb2460589 [1,1,0,0,0,0|2,0,0]=4 226 B19R3.2152927 Fc1ccc2c(c1)c(=O)c3c(o2)ccc(c3)F Amb1147978 [1,1,0,0,0,0|2,0,0]=4 227 B19R3.2152927 Nc1cc2C(=O)c3cc(Cl)ccc3Sc2cc1 Amb19554698 [1,1,0,0,0,0|2,0,0]=4 228 B19R3.2152927 Nc1cc2C(=O)c3cc(N)ccc3Nc2cc1 Amb18048722 [1,1,0,0,0,0|1,0,0]=3 229 B19R3.2152927 Nc1cc2C(=O)c3cc(N)ccc3Oc2cc1 Amb18134857 [1,1,0,0,0,0|2,0,0]=4 230 B19R3.2152927 O=C1c2cc(Br)ccc2Sc3ccc(F)cc31 Amb22482817 [1,1,0,0,0,0|2,0,0]=4 231 B19R3.2152927 O=C1c2cc(Cl)ccc2Oc3ccc(Cl)cc31 Amb20648790 [1,1,0,0,0,0|2,0,0]=4 232 B19R3.2152927 O=C1c2cc(Cl)ccc2Sc3ccc(F)cc31 Amb21998621 [1,1,0,0,0,0|2,0,0]=4 233 B19R3.2152927 O=C1c2cc(F)ccc2Oc3ccc(F)cc31 Amb18012387 [1,1,0,0,0,0|2,0,0]=4 234 B19R3.2152927 Oc1cc2C(=O)c3cc(F)ccc3Sc2cc1 Amb22482816 [1,1,0,0,0,0|2,0,0]=4 235 B19R3.2152927 Oc1cc2C(=O)c3cc(O)ccc3Oc2cc1 Amb17988609 [1,1,0,0,0,0|2,0,0]=4 236 B19R3.2153161 Oc1cc2C(=O)c3c(cccc3O)Oc2cc1 Amb18659894 [1,1,0,0,0,0|2,0,0]=4 237 B19R3.2936359 Cc1cc(C)cc2C=C3C=CC=CN3C(=O)c12 Amb21948295 [1,1,0,0,0,0|2,0,0]=4 238 B19R3.2525069 Cc1[n][n](C)c2c1C(=O)c3ccccc3N2C Amb22342891 [0,1,0,0,1,0|2,0,0]=4 239 B19R3.2195013 Clc1ccc2c(c1)C(=O)c3c2c(Cl)cc(c3)Cl Amb2445031 [0,1,0,0,1,0|2,0,0]=4 240 B19R3.46503 Cc1[n][n]2C(=O)c3ccccc3Nc2c1CN Amb19148348 [0,1,0,0,1,0|2,0,0]=4 241 B21R3.800316 COc1cc(C)cc2c1C(=O)c3ccccc3C2=O Amb16204122 [0,2,0,0,0,0|1,0,0]=3 242 B21R3.3618044 CCc1cc(CC)cc2C(=O)c3ccccc3Sc12 Amb19889283 [0,2,0,0,0,0|1,0,0]=3 243 B21R3.4233821 [O-][N+](=O)c1cc(Cl)cc2c1Nc3ccccc3C2=O Amb22446510 [0,2,0,0,0,0|2,0,0]=4 244 B21R3.6564131 Cc1cc(Br)c2c(c1I)C(=O)c3ccccc3C2=O Amb21947850 [0,2,0,0,0,0|2,0,0]=4 245 B21R3.6564131 Cc1cc(Br)c2c(c1O)C(=O)c3ccccc3C2=O Amb23534637 [0,2,0,0,0,0|2,0,0]=4 246 B21R3.6564131 Cc1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1Cl Amb17842998 [0,2,0,0,0,0|2,0,0]=4 247 B21R3.12286501 Cc1c2C(=O)N3C=CC=CC3=Cc2c(C)c(C)c1C Amb21948289 [0,2,0,0,0,0|2,0,0]=4 248 B21R3.4233845 Cc1cc2c(C(=O)c3ccccc3C2=O)c(C)c1O Amb23560547 [0,2,0,0,0,0|1,0,0]=3 249 B21R3.66661301 Cc1cc(C)c2Nc3[n]c(C)cc(C)c3C(=O)c2c1 Amb19813169 [0,2,0,0,0,0|1,0,0]=3 250 B21R3.66661301 Cc1cc(C)c2c(n1)[nH]c3c(c2=O)cc(cc3C)C Amb1038720 [0,2,0,0,0,0|1,0,0]=3 251 B19R3.9949 Cc1cc(N)c(cc1)-[n]2[n]cc3ccccc23 Amb23944536 [0,0,1,1,0,0|2,0,0]=4 252 B19R3.9949 Cc1cc(N)ccc1-[n]2[n]cc3ccccc23 Amb23944535 [0,0,1,1,0,0|2,0,0]=4 253 B19R3.87160 Cc1ccc2Nc3ncccc3C(=O)Nc2c1 Amb17748017 [0,0,1,1,0,0|2,0,0]=4 254 B19R3.87160 Clc1ccc2Nc3ccccc3C(=O)Nc2c1 Amb17935629 [0,0,1,1,0,0|2,0,0]=4 255 B19R3.87160 O=C1Cc2cc(Cl)ccc2Oc3ccccc31 Amb22169725 [0,0,1,1,0,0|2,0,0]=4 256 B17R2.8831 Cc1cc(C)c(cc1)-c2[n]cccc2C=O Amb18175939 [0,0,1,0,1,0|1,0,0]=3 257 B17R2.3351 Cc1[nH]c(c(c1C(=O)c2ccccc2)C)C Amb16244711 [0,0,1,0,1,0|2,0,0]=4 258 B17R3.4408 Cc1cccc2C(=O)c3ccc[n]c3-c21 Amb19107258 [1,0,0,0,1,0|1,0,0]=3 259 B17R3.4408 O=C1c2ccccc2-c3c(Br)cccc31 Amb22270221 [1,0,0,0,1,0|1,0,0]=3 260 B17R3.4408 O=C1c2ccccc2-c3c(Cl)cccc31 Amb18354549 [1,0,0,0,1,0|1,0,0]=3 261 B17R3.4408 O=C1c2ccccc2-c3c(F)cccc31 Amb19107152 [1,0,0,0,1,0|1,0,0]=3 262 B17R3.4408 Oc1cccc2C(=O)c3ccc[n]c3-c21 Amb18354640 [1,0,0,0,1,0|2,0,0]=4 263 B17R3.31819 Cc1cc2B(O)c3ccccc3-c2cc1 Amb24082917 [1,0,0,0,1,0|1,0,1]=4 264 B17R3.31819 Cc1cc2C(=O)c3ccccc3-c2cc1 Amb18354344 [1,0,0,0,1,0|0,0,0]=2 265 B17R3.31819 Cc1ccc2c(c1)C(=O)c3c2nccc3 Amb10810055 [1,0,0,0,1,0|1,0,0]=3 266 B17R3.31819 Cc1cnc2c(c1)C(=O)c3c2cccc3 Amb1093380 [1,0,0,0,1,0|1,0,0]=3 267 B17R3.31819 Clc1ccc2c(c1)C(=O)c3c2cccc3 Amb17595835 [1,0,0,0,1,0|1,0,0]=3 268 B17R3.31819 Fc1ccc2c(c1)C(=O)c3c2cccc3 Amb10841012 [1,0,0,0,1,0|1,0,0]=3 269 B17R3.31819 O=C1c2ccc[n]c2-c3ccc(Cl)cc31 Amb19107263 [1,0,0,0,1,0|2,0,0]=4 270 B17R3.31819 O=C1c2ccc[n]c2-c3ccc(F)cc31 Amb19107260 [1,0,0,0,1,0|2,0,0]=4 271 B17R3.31819 Oc1ccc2c(c1)C(=O)c3c2cccc3 Amb2224459 [1,0,0,0,1,0|1,0,0]=3 272 B17R3.22401 Cc1c2cc3ccccc3cc2oc1C Amb22480981 [1,0,0,0,1,0|2,0,0]=4 273 B17R3.34323 Cc1cc(C)c2c(n1)[nH]c3c2cccc3 Amb1981188 [1,0,0,0,1,0|2,0,0]=4 274 B17R3.34483 CC=1NC(=O)C=C2C1Nc3ccccc23 Amb20655485 [1,0,0,0,1,0|2,0,0]=4 275 B17R3.34483 CC=1OC(=O)C=C2C1Nc3ccccc23 Amb21973098 [1,0,0,0,1,0|2,0,0]=4 276 B17R3.34483 Cc1nc(C)c2c(c1)c3ccccc3[nH]2 Amb1146444 [1,0,0,0,1,0|1,0,0]=3 277 B17R3.34319 Cc1[s]c(N)c2C(=O)c3ccccc3-c21 Amb22757468 [0,0,0,0,2,0|2,0,0]=4 278 B19R2.7885 Cc1cc(C=O)c(OCc2ccccc2)c(C)c1 Amb19962265 [0,0,1,0,0,1|1,0,0]=3 279 B19R2.4540167 Cc1cc(C)cc(c1)C(=O)Nc2ccccc2F Amb1214359 [0,0,1,0,0,1|1,0,0]=3 280 B19R2.4540167 Cc1cc(C)cc(c1)C(=O)Nc2ccccc2I Amb1210723 [0,0,1,0,0,1|1,0,0]=3 281 B19R2.4540167 Cc1cc(C)cc(c1)C(=O)Nc2ccccc2O Amb158109 [0,0,1,0,0,1|1,0,0]=3 282 B19R2.4540167 Cc1cc(C)cc(c1)C(=O)Nc2cccnc2Cl Amb1883607 [0,0,1,0,0,1|2,0,0]=4 283 B19R2.4540167 Cc1cc(C)cc(c1)C(=O)Nc2ncccc2C Amb153628 [0,0,1,0,0,1|2,0,0]=4 284 B19R2.4540167 Cc1cc(C)cc(c1)C(=O)Nc2ncccc2O Amb15886179 [0,0,1,0,0,1|2,0,0]=4 285 B19R2.4541611 Cc1cc(CC(=O)c2ccccc2Br)cc(C)c1 Amb23968533 [0,0,1,0,0,1|1,0,0]=3 286 B19R2.4541611 Cc1cc(F)cc(c1)NC(=O)c2ccccc2F Amb22053241 [0,0,1,0,0,1|2,0,0]=4 287 B19R2.4541611 Cc1cc(cc(C)c1)NC(=O)c2cccc[n+]2[O-] Amb23470928 [0,0,1,0,0,1|2,0,0]=4 288 B19R2.4541611 Cc1cc(cc(F)c1)NC(=O)c2ccccc2Cl Amb22053258 [0,0,1,0,0,1|2,0,0]=4 289 B19R2.4541611 Cc1cc(cc(c1)C)NC(=O)c2ccccc2N Amb1111195 [0,0,1,0,0,1|0,0,0]=2 290 B19R2.4541611 Cc1cc(cc(c1)C)NC(=O)c2cccnc2Br Amb16207922 [0,0,1,0,0,1|2,0,0]=4 291 B19R2.4541611 Cc1cc(cc(c1)C)OC(=O)c2ccccc2Br Amb2551893 [0,0,1,0,0,1|1,0,0]=3 292 B19R2.4541611 Cc1cc(cc(c1)C)OC(=O)c2ccccc2Cl Amb1343636 [0,0,1,0,0,1|1,0,0]=3 293 B19R2.4541611 Clc1cc(cc(c1)Cl)NC(=O)c2ccccc2N Amb1110170 [0,0,1,0,0,1|2,0,0]=4 294 B19R2.4541611 Fc1cc(cc(c1)F)NC(=O)c2ccccc2N Amb1110196 [0,0,1,0,0,1|2,0,0]=4 295 B19R3.8306 Cc1cccc2C(=O)Cc3ccccc3Oc21 Amb22499923 [1,0,0,0,0,1|1,0,0]=3 296 B19R3.8306 Oc1cccc2C(=O)Nc3ccccc3Oc21 Amb22055423 [1,0,0,0,0,1|2,0,0]=4 297 B19R3.5744 O=C1Nc2ccccc2Sc3ccc(Cl)cc31 Amb22757387 [1,0,0,0,0,1|2,0,0]=4 298 B19R3.2153123 Cc1ccc2c(c1)C(=O)c3ccccc3CO2 Amb2445294 [1,0,0,0,0,1|1,0,0]=3 299 B19R3.2153123 O=C1c2cc(Cl)ccc2SCc3ccccc31 Amb22482547 [1,0,0,0,0,1|2,0,0]=4 300 B19R3.2153123 Oc1cc2C(=O)c3ccccc3C=Cc2cc1 Amb19132583 [1,0,0,0,0,1|2,0,0]=4 301 B19R3.2153123 Oc1cc2C(=O)c3ccccc3CSc2cc1 Amb24312381 [1,0,0,0,0,1|2,0,0]=4 302 B19R3.2153123 Oc1ccc2c(c1)C(=O)c3ccccc3CO2 Amb2445325 [1,0,0,0,0,1|2,0,0]=4 303 B19R3.2525151 CC=1C=C(C)N2c3ccccc3C(=O)C=C2C1 Amb21993199 [0,0,0,0,1,1|1,0,0]=3 304 B19R3.2525151 Cc1cc(O)cc2OC(=O)c3ccccc3-c21 Amb18524246 [0,0,0,0,1,1|1,0,0]=3 305 B19R3.2525151 Oc1cc2OC(=O)c3ccccc3-c2c(O)c1 Amb17987987 [0,0,0,0,1,1|2,0,0]=4