0 B20R2.174637 CC(=O)CC(=O)N(c1ccccc1)c2ccccc2 Amb17596981 [0,0,0,0,0,0|3,0,0]=3 1 B20R2.174637 NC(=O)CS(=O)C(c1ccccc1)c2ccccc2 Amb842557 [0,0,0,0,0,0|0,0,0]=0 2 B20R2.174637 NC(=O)C[S@@](=O)C(c1ccccc1)c2ccccc2 Amb22168550 [0,0,0,0,0,0|0,0,0]=0 3 B20R2.174637 NC(=O)C[S@](=O)C(c1ccccc1)c2ccccc2 Amb32992111 [0,0,0,0,0,0|0,0,0]=0 4 B20R2.174637 N[C@@H](CC(=O)O)C(c1ccccc1)c2ccccc2 Amb22756755 [0,0,0,0,0,0|3,0,0]=3 5 B20R2.174637 O=C(O)CS(=O)C(c1ccccc1)c2ccccc2 Amb842556 [0,0,0,0,0,0|1,0,0]=1 6 B19R2.9813 O=C=NC(=O)C(c1ccccc1)c2ccccc2 Amb17253521 [1,0,0,0,0,0|2,0,1]=4 7 B19R2.13577 CC(=O)\C=C\C(c1ccccc1)c2ccccc2 Amb33082960 [1,0,0,0,0,0|2,0,1]=4 8 B19R2.13577 NC(=O)CSC(c1ccccc1)c2ccccc2 Amb8387277 [1,0,0,0,0,0|0,0,1]=2 9 B19R2.13577 O=C(O)CC=C(c1ccccc1)c2ccccc2 Amb4004780 [1,0,0,0,0,0|2,0,1]=4 10 B19R2.13577 O=C(O)CNC(c1ccccc1)c2ccccc2 Amb13951971 [1,0,0,0,0,0|2,0,0]=3 11 B19R2.13577 O=C(O)CNC(c1ccccc1)c2ccccc2 Amb8827640 [1,0,0,0,0,0|2,0,0]=3 12 B19R2.13577 O=C(O)COC(c1ccccc1)c2ccccc2 Amb2655945 [1,0,0,0,0,0|1,1,0]=3 13 B19R2.13577 O=C(O)CSC(c1ccccc1)c2ccccc2 Amb1105220 [1,0,0,0,0,0|1,0,1]=3 14 B19R2.13577 O=C(O)\C=C\C(c1ccccc1)c2ccccc2 Amb33082935 [1,0,0,0,0,0|2,0,1]=4 15 B21R2.16928 COC(=O)C[S@@](=O)C(c1ccccc1)c2ccccc2 Amb20241830 [0,1,0,0,0,0|1,0,0]=2 16 B21R2.16928 O=C(CS(=O)C(c1ccccc1)c2ccccc2)NO Amb8395222 [0,1,0,0,0,0|0,0,0]=1 17 B21R2.401059 NC(=O)CS(=O)(=O)C(c1ccccc1)c2ccccc2 Amb1893640 [0,1,0,0,0,0|0,0,1]=2 18 B21R3.7545 O=C1CC(C(c2ccccc2)c3ccccc3)CN1 Amb33082933 [0,0,0,1,0,0|2,0,0]=3 19 B21R3.7545 O=C1NCC(C(c2ccccc2)c3ccccc3)O1 Amb33082932 [0,0,0,1,0,0|3,0,0]=4 20 B21R3.7798 N=C1NC(=O)C(c2ccccc2)(c3ccccc3)N1 Amb1797586 [0,0,0,1,0,0|3,0,0]=4 21 B21R3.7798 NC1=NC(c2ccccc2)(c3ccccc3)C(=O)N1 Amb1101130 [0,0,0,1,0,0|3,0,0]=4 22 B21R3.7798 O=C1N=C([O-])NC1(c2ccccc2)c3ccccc3 Amb22395928 [0,0,0,1,0,0|2,0,1]=4 23 B21R3.7798 O=C1NC(=O)C(c2ccccc2)(c3ccccc3)N1 Amb35745914 [0,0,0,1,0,0|2,0,0]=3 24 B21R3.7798 O=C1NC(=O)C(c2ccccc2)(c3ccccc3)N1 Amb6355901 [0,0,0,1,0,0|2,0,0]=3 25 B21R3.7798 O=C1NC(=O)C(c2ccccc2)(c3ccccn3)N1 Amb6333344 [0,0,0,1,0,0|3,0,0]=4 26 B21R3.7798 O=C1NC(=S)NC1(c2ccccc2)c3ccccc3 Amb8495635 [0,0,0,1,0,0|2,1,0]=4 27 B21R3.7798 O=C1[N-]C(=O)C(c2ccccc2)(c3ccccc3)N1 Amb22524343 [0,0,0,1,0,0|2,0,0]=3 28 B21R3.7798 O=C1[N-]C(=O)C(c2ccccc2)(c3ccccc3)N1 Amb2717761 [0,0,0,1,0,0|2,0,0]=3 29 B21R3.24132 O=C(O)C1CC1C(c2ccccc2)c3ccccc3 Amb33082934 [0,0,0,1,0,0|3,0,0]=4 30 B21R3.24132 O=C(O)[C@@H]1C[C@H]1C(c2ccccc2)c3ccccc3 Amb33082366 [0,0,0,1,0,0|3,0,0]=4 31 B19R2.113616 C=C(C(=O)O)C(c1ccccc1)c2ccccc2 Amb33082283 [0,0,0,0,1,0|3,0,0]=4 32 B19R2.113616 CC(C(=O)O)C(c1ccccc1)c2ccccc2 Amb32953321 [0,0,0,0,1,0|3,0,0]=4 33 B19R2.113616 CC(N)C(=O)C(c1ccccc1)c2ccccc2 Amb33082058 [0,0,0,0,1,0|2,0,1]=4 34 B19R2.113616 NC(C(=O)O)C(c1ccccc1)c2ccccc2 Amb2696734 [0,0,0,0,1,0|3,0,0]=4 35 B19R2.113616 N[C@@H](C(=O)O)C(c1ccccc1)c2ccccc2 Amb8396989 [0,0,0,0,1,0|3,0,0]=4 36 B19R2.113616 N[C@H](C(=O)O)C(c1ccccc1)c2ccccc2 Amb2694836 [0,0,0,0,1,0|3,0,0]=4 37 B19R2.113616 N[C@H](C(=O)O)C(c1ccccc1)c2ccccc2 Amb31308311 [0,0,0,0,1,0|3,0,0]=4 38 B19R2.113616 O=C(O)C(=O)C(c1ccccc1)c2ccccc2 Amb33082062 [0,0,0,0,1,0|2,0,0]=3 39 B19R2.113616 O=C(O)C(O)C(c1ccccc1)c2ccccc2 Amb22228844 [0,0,0,0,1,0|2,0,1]=4 40 B21R2.402445 CC(=O)NNC(=O)C(c1ccccc1)c2ccccc2 Amb3714055 [0,0,0,0,0,1|3,0,0]=4 41 B21R2.402445 CN(CCC(=O)O)C(c1ccccc1)c2ccccc2 Amb17561236 [0,0,0,0,0,1|3,0,0]=4 42 B21R2.402445 O=C(O)CNC(=O)C(c1ccccc1)c2ccccc2 Amb6355420 [0,0,0,0,0,1|2,0,0]=3 43 B18R2.40 C=CCNC(c1ccccc1)c2ccccc2 Amb70592 [2,0,0,0,0,0|2,0,0]=4 44 B18R2.40 NCCNC(c1ccccc1)c2ccccc2 Amb32855313 [2,0,0,0,0,0|1,0,1]=4 45 B18R2.40 NCCSC(c1ccccc1)c2ccccc2 Amb17500466 [2,0,0,0,0,0|0,0,2]=4 46 B18R2.40 O=C\C=C\C(c1ccccc1)c2ccccc2 Amb33081958 [2,0,0,0,0,0|1,0,1]=4 47 B18R2.2312 C=C(CN)C(c1ccccc1)c2ccccc2 Amb33082284 [2,0,0,0,0,0|2,0,0]=4 48 B18R2.2312 C=CC(=O)C(c1ccccc1)c2ccccc2 Amb32952222 [2,0,0,0,0,0|1,0,1]=4 49 B18R2.2312 CC(C=O)C(c1ccccc1)c2ccccc2 Amb33081942 [2,0,0,0,0,0|2,0,0]=4 50 B18R2.2312 CC(CN)C(c1ccccc1)c2ccccc2 Amb8950133 [2,0,0,0,0,0|2,0,0]=4 51 B18R2.2312 NCC(=O)C(c1ccccc1)c2ccccc2 Amb33082056 [2,0,0,0,0,0|1,0,0]=3 52 B18R2.2312 NCC(=O)N(c1ccccc1)c2ccccc2 Amb13777384 [2,0,0,0,0,0|2,0,0]=4 53 B18R2.2312 NCC(=O)N(c1ccccc1)c2ccccc2 Amb17727757 [2,0,0,0,0,0|2,0,0]=4 54 B18R2.2312 NCC(F)C(c1ccccc1)c2ccccc2 Amb33082074 [2,0,0,0,0,0|2,0,0]=4 55 B18R2.2312 NCC(O)C(c1ccccc1)c2ccccc2 Amb17247798 [2,0,0,0,0,0|1,0,1]=4 56 B18R2.2312 NC[C@@H](O)C(c1ccccc1)c2ccccc2 Amb33082254 [2,0,0,0,0,0|1,0,1]=4 57 B18R2.2312 NC[C@H](O)C(c1ccccc1)c2ccccc2 Amb33082267 [2,0,0,0,0,0|1,0,1]=4 58 B18R2.2312 NNC(=O)C(c1ccccc1)c2ccccc2 Amb6335941 [2,0,0,0,0,0|2,0,0]=4 59 B18R2.2312 O=C(CCl)C(c1ccccc1)c2ccccc2 Amb22395295 [2,0,0,0,0,0|2,0,0]=4 60 B20R2.184796 NCCS(=O)(=O)C(c1ccccc1)c2ccccc2 Amb17500604 [1,1,0,0,0,0|0,0,2]=4 61 B20R2.18148 O=C(CSC(c1ccccc1)c2ccccc2)NO Amb17621800 [1,1,0,0,0,0|0,0,1]=3 62 B20R2.29400 CC(SC(c1ccccc1)c2ccccc2)C(=O)O Amb17501628 [1,1,0,0,0,0|1,0,1]=4 63 B20R2.140971 Cc1ccccc1C(OCC(=O)O)c2ccccc2 Amb8384613 [1,1,0,0,0,0|1,1,0]=4 64 B20R2.240825 O=C(O)CSC(c1ccccc1)c2ccc(Cl)cc2 Amb23343 [1,1,0,0,0,0|1,0,1]=4 65 B22R2.355155 CN(CC(N)=O)C(=O)C(c1ccccc1)c2ccccc2 Amb17283410 [0,1,0,0,0,1|2,0,0]=4 66 B22R2.355012 CC(NC(=O)C(c1ccccc1)c2ccccc2)C(=O)O Amb1252396 [0,1,0,0,0,1|2,0,0]=4 67 B22R2.595935 NNC(=O)CNC(=O)C(c1ccccc1)c2ccccc2 Amb9760947 [0,1,0,0,0,1|1,0,0]=3 68 B22R2.468610 CCOC(=O)CC(=O)C(c1ccccc1)c2ccccc2 Amb8387835 [0,2,0,0,0,0|2,0,0]=4 69 B20R3.8612 O=C1CN(C(c2ccccc2)c3ccccc3)C1 Amb8629909 [1,0,0,1,0,0|2,0,0]=4 70 B20R3.12802 O=C1CC(=O)N(c2ccccc2)c3ccccc31 Amb1582040 [1,0,0,1,0,0|2,0,0]=4 71 B20R3.82827 O=CC1C(=O)N(c2ccccc2)c3ccccc31 Amb2388511 [1,0,0,1,0,0|2,0,0]=4 72 B20R3.5384109 NCCC(=O)C1c2ccccc2-c3ccccc31 Amb33198600 [1,0,0,1,0,0|1,0,1]=4 73 B20R3.5687 O=C1CCC(c2ccccc2)c3ccccc3N1 Amb10604273 [1,0,0,1,0,0|1,0,0]=3 74 B20R3.5687 O=C1CN=C(c2ccccc2)c3ccccc3N1 Amb9134821 [1,0,0,1,0,0|1,0,1]=4 75 B20R3.5687 O=C1CNC(c2ccccc2)c3ccccc3N1 Amb19516614 [1,0,0,1,0,0|1,0,0]=3 76 B20R3.5687 O=C1CNC(c2ccccc2)c3ccccc3N1 Amb9175063 [1,0,0,1,0,0|1,0,0]=3 77 B20R3.5687 O=C1CNC(c2ccccn2)c3ccccc3N1 Amb31137679 [1,0,0,1,0,0|2,0,0]=4 78 B20R3.5687 O=C1CNC(c2cccnc2)c3ccccc3N1 Amb31137680 [1,0,0,1,0,0|2,0,0]=4 79 B20R3.5687 O=C1CNC(c2ccncc2)c3ccccc3N1 Amb31137681 [1,0,0,1,0,0|2,0,0]=4 80 B20R3.15866 O=C(O)C1CC1(c2ccccc2)c3ccccc3 Amb9778703 [1,0,0,1,0,0|2,0,0]=4 81 B20R3.651490 CC(=O)CCC1c2ccccc2-c3ccccc31 Amb33203258 [1,0,0,1,0,0|2,0,0]=4 82 B20R3.651490 NC(=O)OCC1c2ccccc2-c3ccccc31 Amb8629435 [1,0,0,1,0,0|2,0,0]=4 83 B20R3.651490 O=C(O)CCC1c2ccccc2-c3ccccc31 Amb33198635 [1,0,0,1,0,0|2,0,0]=4 84 B20R3.651490 O=C(O)COC1c2ccccc2-c3ccccc31 Amb33200162 [1,0,0,1,0,0|1,1,0]=4 85 B20R3.268985 O=C1Nc2ccccc2N(c3ccccc3)C1=O Amb32416840 [0,0,0,1,1,0|2,0,0]=4 86 B20R3.8133337 O=C(O)C(=O)C1c2ccccc2-c3ccccc31 Amb33198623 [0,0,0,1,1,0|2,0,0]=4 87 B22R3.235742 O=C1NC(=O)C(Cc2ccccc2)(c3ccccc3)N1 Amb1543464 [0,0,0,1,0,1|2,0,0]=4 88 B22R3.15235942 Cc1ccc(C2(c3ccccc3)NC(=O)NC2=O)cc1 Amb6336111 [0,1,0,1,0,0|2,0,0]=4 89 B22R3.15235942 O=C1NC(=O)C(c2ccccc2)(c3ccc(O)cc3)N1 Amb1125953 [0,1,0,1,0,0|2,0,0]=4 90 B22R3.236145 NN1C(=O)NC(c2ccccc2)(c3ccccc3)C1=O Amb6372578 [0,1,0,1,0,0|2,0,0]=4 91 B22R3.236145 O=C1NC(c2ccccc2)(c3ccccc3)C(=O)N1[Na] Amb8627790 [0,1,0,1,0,0|2,0,0]=4 92 B18R2.7184 CC(=O)CC(c1ccccc1)c2ccccc2 Amb6357489 [1,0,0,0,1,0|1,0,0]=3 93 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccc2 Amb1233566 [1,0,0,0,1,0|2,0,0]=4 94 B18R2.7184 C[C@@H](N)CC(c1ccccc1)c2ccccc2 Amb33082375 [1,0,0,0,1,0|1,0,1]=4 95 B18R2.7184 C[C@H](N)CC(c1ccccc1)c2ccccc2 Amb33082959 [1,0,0,0,1,0|1,0,1]=4 96 B18R2.7184 N=C(N)CC(c1ccccc1)c2ccccc2 Amb33082310 [1,0,0,0,1,0|1,0,0]=3 97 B18R2.7184 N=C(N)SC(c1ccccc1)c2ccccc2 Amb17621801 [1,0,0,0,1,0|1,0,1]=4 98 B18R2.7184 NC(=O)CC(c1ccccc1)c2ccccc2 Amb1797501 [1,0,0,0,1,0|0,0,0]=2 99 B18R2.7184 NC(=S)CC(c1ccccc1)c2ccccc2 Amb18627057 [1,0,0,0,1,0|0,1,0]=3 100 B18R2.7184 NC(=S)NC(c1ccccc1)c2ccccc2 Amb2684575 [1,0,0,0,1,0|1,1,0]=4 101 B18R2.7184 O=C(Cl)CC(c1ccccc1)c2ccccc2 Amb5738949 [1,0,0,0,1,0|1,0,0]=3 102 B18R2.7184 O=C(O)CC(c1ccccc1)c2ccccc2 Amb2224461 [1,0,0,0,1,0|1,0,0]=3 103 B18R2.7184 O=C(O)CN(c1ccccc1)c2ccccc2 Amb1214298 [1,0,0,0,1,0|2,0,0]=4 104 B18R2.7184 O=[N+]([O-])CC(c1ccccc1)c2ccccc2 Amb19988291 [1,0,0,0,1,0|2,0,0]=4 105 B20R2.14082 NCCC(=O)NC(c1ccccc1)c2ccccc2 Amb19134551 [1,0,0,0,0,1|1,0,1]=4 106 B20R2.10799 O=C(O)CCSC(c1ccccc1)c2ccccc2 Amb32411269 [1,0,0,0,0,1|1,0,1]=4 107 B22R2.150198 O=C(O)CNC(=O)C(Cc1ccccc1)c2ccccc2 Amb17148304 [0,0,0,0,0,2|2,0,0]=4 108 B22R2.50919 O=C(O)CCC(=O)NC(c1ccccc1)c2ccccc2 Amb2722376 [0,0,0,0,0,2|2,0,0]=4 109 B22R2.50919 O=C(O)CCC(=O)OC(c1ccccc1)c2ccccc2 Amb35825088 [0,0,0,0,0,2|2,0,0]=4 110 B22R2.50919 O=C(O)CNC(=O)CC(c1ccccc1)c2ccccc2 Amb5741677 [0,0,0,0,0,2|2,0,0]=4 111 B22R2.50919 O=C([O-])CCC(=O)NC(c1ccccc1)c2ccccc2 Amb32687491 [0,0,0,0,0,2|2,0,0]=4