0 B18R2.14825 CC(C)(C(=O)c1ccccc1)c2c[n]ccc2 Amb24065735 [0,0,0,0,0,0|1,0,0]=1 1 B18R2.14825 CC(C)(C(O)c1c[n]cc[n]1)c2ccccc2 Amb23976496 [0,0,0,0,0,0|2,0,2]=4 2 B18R2.14825 O=C(C(c1ccccc1)(Br)Br)c2ccccc2 Amb2423076 [0,0,0,0,0,0|4,0,0]=4 3 B18R2.14825 O=C(c1ccccc1)C(F)(F)c2c[n]ccc2 Amb24076485 [0,0,0,0,0,0|3,0,0]=3 4 B17R2.10205 CC(C(=O)c1ccccc1)c2ccncc2 Amb17595689 [1,0,0,0,0,0|3,0,0]=4 5 B17R2.10205 CC(c1c[n]ccc1)N(N)c2ccccc2 Amb24096981 [1,0,0,0,0,0|3,0,0]=4 6 B17R2.10205 CN(C(=O)c1ccccc1)c2c[n]ccc2 Amb20645019 [1,0,0,0,0,0|2,0,0]=3 7 B17R2.10205 ClC(C(=O)c1ccccc1)c2ccccc2 Amb1676617 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.10205 NC(C(=O)c1ccccc1)c2ccccc2 Amb17939052 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.10205 NC(C(=O)c1ccccc1)c2ccccc2 Amb19373676 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.10205 N[C@@H]([C@@H](c1cccnc1)N)c2cccnc2 Amb10807793 [1,0,0,0,0,0|2,0,1]=4 11 B17R2.10205 O=C(C(Br)c1c[n]ccc1)c2ccccc2 Amb24104053 [1,0,0,0,0,0|2,0,0]=3 12 B17R2.10205 O=C(C([n+]1ccccc1)C)c2ccccc2 Amb1093378 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.10205 OC(C(O)c1c[n]ccc1)c2c[n]ccc2 Amb21858595 [1,0,0,0,0,0|1,0,2]=4 14 B17R2.10205 O[C@@H](C(=O)c1ccccc1)c2ccccc2 Amb22353499 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.10205 O[C@H](C(=O)c1ccccc1)c2ccccc2 Amb22351502 [1,0,0,0,0,0|3,0,0]=4 16 B17R2.20249 CC(O)(Cc1c[n]ccc1)c2ccccc2 Amb24081227 [1,0,0,0,0,0|2,0,1]=4 17 B17R2.20249 C[Si](C)(Cc1ccccc1)c2ccc[n]c2 Amb24085705 [1,0,0,0,0,0|1,1,1]=4 18 B19R2.12359 Nc1ccc(cc1)C(=O)C(c2ccccc2)(C)C Amb17596632 [0,1,0,0,0,0|2,0,0]=3 19 B19R2.28123 N#CC(C(=O)c1ccccc1)(c2ccccc2)C Amb10571694 [0,1,0,0,0,0|2,0,1]=4 20 B19R3.6065 CC1(Nc2ccccc2C1=O)c3ccccc3 Amb24097263 [0,0,0,1,0,0|3,0,0]=4 21 B19R3.6065 O=C1c2ccccc2OC1(C)c3ccccc3 Amb10572894 [0,0,0,1,0,0|3,0,0]=4 22 B19R3.59927 CC1(C)C(=Nc2ccccc12)c3ccccc3 Amb21948310 [0,0,0,1,0,0|3,0,0]=4 23 B19R3.1800003 O=C(C1(CC1)c2ccccc2)c3cccnc3 Amb10568565 [0,0,0,1,0,0|1,0,0]=2 24 B19R2.8901 CC(C)(CC(=C)c1ccccc1)c2ccccc2 Amb22351821 [0,0,0,0,0,1|3,0,0]=4 25 B19R2.8901 CC(C)(SC(=S)c1ccccc1)c2ccccc2 Amb24055348 [0,0,0,0,0,1|2,1,0]=4 26 B19R2.8927 CC(C)(C(=O)Nc1c[n]ccc1)c2ccccc2 Amb21232200 [0,0,0,0,0,1|1,0,0]=2 27 B19R2.8927 CC(C)(C(=O)Oc1ccccc1)c2ccccc2 Amb20685578 [0,0,0,0,0,1|2,0,0]=3 28 B19R2.21041 CC(C)(Cc1ccccc1)C(=O)c2c[n]c[n]c2 Amb24082128 [0,0,0,0,0,1|2,0,0]=3 29 B16R2.88 O=C(Cc1c[n]ccc1)c2c[n][n]cc2 Amb25193685 [2,0,0,0,0,0|1,0,0]=3 30 B16R2.88 O=C(Cc1c[n]ccc1)c2c[n]c[n]c2 Amb19088832 [2,0,0,0,0,0|1,0,0]=3 31 B16R2.88 O=C(Cc1c[n]ccc1)c2c[n]ccc2 Amb19083420 [2,0,0,0,0,0|0,0,0]=2 32 B16R2.88 O=C(Cc1c[n]ccc1)c2cc[n]cc2 Amb25761119 [2,0,0,0,0,0|2,0,0]=4 33 B16R2.88 O=C(Cc1cc[n]cc1)c2c[n]ccc2 Amb19083421 [2,0,0,0,0,0|2,0,0]=4 34 B16R2.88 O=C(Cc1ccccc1)c2c[n][n]cc2 Amb25843077 [2,0,0,0,0,0|2,0,0]=4 35 B16R2.88 O=C(Cc1ccccc1)c2c[n]c[n]c2 Amb19083419 [2,0,0,0,0,0|2,0,0]=4 36 B16R2.88 O=C(Cc1ccccc1)c2c[n]cc[n]2 Amb19055085 [2,0,0,0,0,0|2,0,0]=4 37 B16R2.88 O=C(Cc1cccnc1)c2ccccc2 Amb17689201 [2,0,0,0,0,0|1,0,0]=3 38 B16R2.88 O=C(Nc1ccccc1)c2c[n]ccc2 Amb22734245 [2,0,0,0,0,0|2,0,0]=4 39 B16R2.88 O=C(c1ccccc1)Cc2ccccc2 Amb1205838 [2,0,0,0,0,0|2,0,0]=4 40 B16R2.88 O=C(c1cccnc1)Nc2ccccc2 Amb1195992 [2,0,0,0,0,0|2,0,0]=4 41 B18R2.250 CC(C(=O)c1ccc(Cl)cc1)c2ccccc2 Amb22753507 [1,1,0,0,0,0|2,0,0]=4 42 B18R2.250 CC(C(=O)c1ccccc1)c2ccc(O)cc2 Amb22750888 [1,1,0,0,0,0|2,0,0]=4 43 B18R2.250 O=C(C(Br)c1c[n]ccc1)c2ccc(Cl)cc2 Amb24106286 [1,1,0,0,0,0|2,0,0]=4 44 B18R2.250 O=C(C(Br)c1c[n]ccc1)c2ccc(F)cc2 Amb24106297 [1,1,0,0,0,0|2,0,0]=4 45 B18R2.3988 O=C(C(Br)c1c[n]ccc1)c2ccccc2Cl Amb24106259 [1,1,0,0,0,0|2,0,0]=4 46 B18R2.6461 Cc1c[n]cc(c1)C(Br)C(=O)c2ccccc2 Amb24104058 [1,1,0,0,0,0|2,0,0]=4 47 B18R2.6461 Cc1cc(ccc1)C(=O)C(Br)c2c[n]ccc2 Amb24106290 [1,1,0,0,0,0|2,0,0]=4 48 B18R2.6461 O=C(C(Br)c1c[n]ccc1)c2cc(Cl)ccc2 Amb24106269 [1,1,0,0,0,0|2,0,0]=4 49 B20R2.15703 Clc1ccc(cc1)C(NC(=O)c2ccccc2)(C)C Amb16899963 [0,1,0,0,0,1|2,0,0]=4 50 B20R2.15703 Clc1ccc(cc1)C(NC(=O)c2cccnc2)(C)C Amb16899886 [0,1,0,0,0,1|1,0,0]=3 51 B20R2.15703 Clc1ccc(cc1)C(NC(=O)c2cnccn2)(C)C Amb16901011 [0,1,0,0,0,1|2,0,0]=4 52 B20R2.15703 Fc1ccc(cc1)C(NC(=O)c2ccccc2)(C)C Amb16899968 [0,1,0,0,0,1|2,0,0]=4 53 B20R2.15703 Fc1ccc(cc1)C(NC(=O)c2cccnc2)(C)C Amb16899895 [0,1,0,0,0,1|1,0,0]=3 54 B20R2.15703 Fc1ccc(cc1)C(NC(=O)c2cnccn2)(C)C Amb16901021 [0,1,0,0,0,1|2,0,0]=4 55 B20R2.72085 Clc1cccc(c1)C(NC(=O)c2ccccc2)(C)C Amb16899966 [0,1,0,0,0,1|2,0,0]=4 56 B20R2.72085 Clc1cccc(c1)C(NC(=O)c2cccnc2)(C)C Amb16899889 [0,1,0,0,0,1|1,0,0]=3 57 B20R2.72085 Clc1cccc(c1)C(NC(=O)c2cnccn2)(C)C Amb16901014 [0,1,0,0,0,1|2,0,0]=4 58 B20R2.74453 CC(C)(NC(=O)c1cccnc1Cl)c2ccccc2 Amb17928431 [0,1,0,0,0,1|1,0,0]=3 59 B20R2.140939 O=C(c1ccccc1)NC(c2ccccc2F)(C)C Amb16899971 [0,1,0,0,0,1|2,0,0]=4 60 B20R2.140939 O=C(c1cccnc1)NC(c2ccccc2F)(C)C Amb16899898 [0,1,0,0,0,1|1,0,0]=3 61 B20R2.140939 O=C(c1cnccn1)NC(c2ccccc2F)(C)C Amb16901024 [0,1,0,0,0,1|2,0,0]=4 62 B20R2.15718 CC(C)(C(=O)Nc1c[n]ccc1)c2ccc(Br)cc2 Amb21647829 [0,1,0,0,0,1|1,0,0]=3 63 B20R2.15718 CC(C)(C(=O)Nc1c[n]ccc1)c2ccc(N)cc2 Amb18938415 [0,1,0,0,0,1|1,0,0]=3 64 B20R2.15718 CC(C)(C(=O)Nc1ccccc1)c2ccc(N)cc2 Amb18938427 [0,1,0,0,0,1|2,0,0]=4 65 B20R2.15718 Clc1ccc(cc1)C(C(=O)Nc2ccccc2)(C)C Amb11447913 [0,1,0,0,0,1|2,0,0]=4 66 B20R2.15859 CC(C)(C(=O)Oc1ccc(Cl)cc1)c2ccccc2 Amb20685522 [0,1,0,0,0,1|2,0,0]=4 67 B20R2.72073 Clc1cccc(c1)C(C(=O)Nc2cccnc2)(C)C Amb16896541 [0,1,0,0,0,1|1,0,0]=3 68 B20R2.72255 Brc1cccc(c1)NC(=O)C(c2ccccc2)(C)C Amb1191930 [0,1,0,0,0,1|2,0,0]=4 69 B20R2.72255 Cc1cc(ccc1)OC(=O)C(C)(C)c2ccccc2 Amb21522919 [0,1,0,0,0,1|2,0,0]=4 70 B20R2.148387 Cc1ccccc1NC(=O)C(c2ccccc2)(C)C Amb2263627 [0,1,0,0,0,1|2,0,0]=4 71 B20R2.148387 Clc1ccccc1NC(=O)C(c2ccccc2)(C)C Amb11214578 [0,1,0,0,0,1|2,0,0]=4 72 B20R2.239668 CC(C)(Cc1ccc(Br)cc1)C(=O)c2c[n]c[n]c2 Amb24082141 [0,1,0,0,0,1|2,0,0]=4 73 B20R2.239668 CC(C)(Sc1ccc(Cl)cc1)C(=O)c2c[n]c[n]c2 Amb24082131 [0,1,0,0,0,1|2,0,0]=4 74 B20R2.2291469 O=C(C(C(=O)c1ccccc1)(C)C)c2ccccc2 Amb2389773 [0,1,0,0,0,1|2,0,0]=4 75 B20R2.72283 Cc1cccc(C(=O)C(C)(C)c2ccccc2)c1C Amb23968620 [0,2,0,0,0,0|2,0,0]=4 76 B20R2.184799 COOC(C)(C(=O)c1ccccc1)c2ccccc2 Amb21953287 [0,2,0,0,0,0|2,0,0]=4 77 B20R2.193540 CCC(CC)(C(=O)c1c[n]cc[n]1)c2ccccc2 Amb23976470 [0,2,0,0,0,0|2,0,0]=4 78 B18R3.111 O=C1c2ccc[n]c2CN1c3ccccc3 Amb22008618 [1,0,0,1,0,0|2,0,0]=4 79 B18R3.422788 O=C1C(=O)c2cccnc2c3c1cccn3 Amb1058779 [1,0,0,1,0,0|1,0,1]=4 80 B18R3.240269 O=C([n]1cc[n]c1)C2(CC2)c3ccccc3 Amb22436467 [0,0,0,1,1,0|2,0,0]=4 81 B20R3.16134 O=C(c1ccccc1)NC2(CC2)c3ccccc3 Amb1047959 [0,0,0,1,0,1|2,0,0]=4 82 B20R3.16134 O=C(c1cccnc1)NC2(CC2)c3ccccc3 Amb16899881 [0,0,0,1,0,1|1,0,0]=3 83 B20R3.16134 O=C(c1cnccn1)NC2(CC2)c3ccccc3 Amb16901006 [0,0,0,1,0,1|2,0,0]=4 84 B20R3.12836 CC1(Nc2[n]cccc2NC1=O)c3ccccc3 Amb24028701 [0,0,0,1,0,1|2,0,0]=4 85 B20R3.96493 CC1(C)C(=O)N(c2[n]cccc12)c3ccccc3 Amb24082449 [0,0,0,1,0,1|1,0,0]=3 86 B20R3.96493 CC1(F)C(=O)N(c2[n]cccc12)c3ccccc3 Amb24082474 [0,0,0,1,0,1|2,0,0]=4 87 B20R3.331654 O=C(C1(CC1)c2ccccc2)Nc3ccccc3 Amb15791839 [0,0,0,1,0,1|2,0,0]=4 88 B16R2.6780 CC(C(=O)c1c[s]c[n]1)c2ccccc2 Amb25031744 [1,0,0,0,1,0|2,0,0]=4 89 B16R2.6780 CC(C(=O)c1c[s]cc1)c2ccccc2 Amb25283550 [1,0,0,0,1,0|2,0,0]=4 90 B16R2.6780 CC(C(=O)c1cc[n][s]1)c2ccccc2 Amb25267344 [1,0,0,0,1,0|2,0,0]=4 91 B16R2.6780 CC(C(=O)c1ccco1)c2ccccc2 Amb24446109 [1,0,0,0,1,0|2,0,0]=4 92 B16R2.6780 CN(C(=O)c1c[s]c[n]1)c2c[n]ccc2 Amb25849387 [1,0,0,0,1,0|2,0,0]=4 93 B18R2.3634 CC(c1cccnc1)NC(=O)c2ccncc2 Amb15702920 [1,0,0,0,0,1|2,0,0]=4 94 B18R2.3634 CC(c1cccnc1)NC(=O)c2cnccn2 Amb15896567 [1,0,0,0,0,1|1,0,0]=3 95 B18R2.3634 C[C@@H](NC(=O)c1c[n]ccc1)c2ccccc2 Amb23261328 [1,0,0,0,0,1|1,0,0]=3 96 B18R2.3634 C[C@@H](NC(=O)c1ccccc1)c2ccccc2 Amb17779318 [1,0,0,0,0,1|2,0,0]=4 97 B18R2.3634 O=C(c1cccnc1)OC(=O)c2cccnc2 Amb16233302 [1,0,0,0,0,1|1,0,1]=4 98 B18R2.7204 CC(C(=O)Nc1ccccc1)c2ccccc2 Amb22523710 [1,0,0,0,0,1|2,0,0]=4 99 B18R2.7204 CN(Cc1c[n]ccc1)C(=O)c2ccccc2 Amb24077732 [1,0,0,0,0,1|2,0,0]=4 100 B18R2.32237 CC(c1ccccc1)(\N=C\c2ccccc2)C Amb10568467 [1,0,0,0,0,1|2,0,0]=4 101 B18R2.7207 CC(C)(C(=O)Nc1c[n]cc[n]1)c2ccc[s]2 Amb24255009 [0,0,0,0,1,1|2,0,0]=4 102 B18R2.7190 CC(C)(NC(=O)c1c[nH][n]c1)c2ccccc2 Amb23940540 [0,0,0,0,1,1|2,0,0]=4 103 B18R2.7190 CC(C)(NC(=O)c1ccc[nH]1)c2ccccc2 Amb17930108 [0,0,0,0,1,1|1,0,1]=4 104 B18R2.7190 O=C(c1n[nH]cc1)NC(c2ccccc2)(C)C Amb11593952 [0,0,0,0,1,1|2,0,0]=4 105 B18R2.14826 O=C(C(Oc1ccccc1)(C)C)n2cncc2 Amb17344532 [0,0,0,0,1,1|2,0,0]=4 106 B20R2.10818 CC(C)(NC(=O)Cc1ccccc1)c2ccccc2 Amb22472012 [0,0,0,0,0,2|2,0,0]=4 107 B20R2.175092 O=C(c1ccccc1)NC(Cc2ccccc2)(C)C Amb16787809 [0,0,0,0,0,2|2,0,0]=4 108 B20R2.175092 O=C(c1cccnc1)NC(Cc2ccccc2)(C)C Amb16787834 [0,0,0,0,0,2|1,0,0]=3 109 B20R2.10845 O=C(C(Cc1ccccc1)(C)C)Nc2ccccc2 Amb16939777 [0,0,0,0,0,2|2,0,0]=4 110 B20R2.10845 O=C(C(Cc1ccccc1)(C)C)Nc2cccnc2 Amb16939816 [0,0,0,0,0,2|1,0,0]=3 111 B20R2.2291472 CC(C)(COc1ccccc1)C(=O)c2c[n]c[n]c2 Amb24082125 [0,0,0,0,0,2|2,0,0]=4