0 B20R2.174637 CN(C(c1ccccc1)c2ccccc2)CC(=O)N Amb15851690 [0,0,0,0,0,0|2,0,0]=2 1 B20R2.174637 NC(=O)CS(O)C(c1ccccc1)c2ccccc2 Amb19133331 [0,0,0,0,0,0|0,0,2]=2 2 B20R2.174637 N[C@@H](CC(O)=O)C(c1ccccc1)c2ccccc2 Amb22756755 [0,0,0,0,0,0|3,0,0]=3 3 B20R2.174637 O=C(N(c1ccccc1)c2ccccc2)CC(=O)C Amb17596981 [0,0,0,0,0,0|3,0,0]=3 4 B20R2.174637 OC(=O)C[S@@](=O)C(c1ccccc1)c2ccccc2 Amb17618042 [0,0,0,0,0,0|1,0,0]=1 5 B20R2.174637 OC(=O)C[S@](=O)C(c1ccccc1)c2ccccc2 Amb19133329 [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)CC=C(c1ccccc1)c2ccccc2 Amb10559852 [1,0,0,0,0,0|2,0,1]=4 8 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccc2 Amb11229706 [1,0,0,0,0,0|0,1,0]=2 9 B19R2.13577 NC(=O)CSC(C1CC=CC=C1)c2ccccc2 Amb17678812 [1,0,0,0,0,0|0,0,3]=4 10 B19R2.13577 OC(=O)CNC(c1ccccc1)c2ccccc2 Amb13951971 [1,0,0,0,0,0|2,0,0]=3 11 B19R2.13577 OC(=O)CSC(c1ccccc1)c2ccccc2 Amb1105220 [1,0,0,0,0,0|1,0,1]=3 12 B19R2.13577 OP(=O)CNC(c1ccccc1)c2ccccc2 Amb22466508 [1,0,0,0,0,0|3,0,0]=4 13 B21R2.16928 COC(=O)CS(=O)C(c1ccccc1)c2ccccc2 Amb17618053 [0,1,0,0,0,0|1,0,0]=2 14 B21R2.16928 COC(=O)CS(O)C(c1ccccc1)c2ccccc2 Amb19133330 [0,1,0,0,0,0|1,0,2]=4 15 B21R2.16928 COC(=O)C[S@@](=O)C(c1ccccc1)c2ccccc2 Amb20241830 [0,1,0,0,0,0|1,0,0]=2 16 B21R2.20129 CN(CC(N)=O)C(c1ccccc1)c2ccc(F)cc2 Amb21424282 [0,1,0,0,0,0|2,0,0]=3 17 B21R2.401059 NC(=O)CS(=O)(=O)C(c1ccccc1)c2ccccc2 Amb1893640 [0,1,0,0,0,0|0,0,1]=2 18 B21R3.7798 O=C1NC(=N)NC1(c2ccccc2)c3ccccc3 Amb1797586 [0,0,0,1,0,0|3,0,0]=4 19 B21R3.7798 O=C1NC(=NC1(c2ccccc2)c3ccccc3)N Amb1101130 [0,0,0,1,0,0|3,0,0]=4 20 B21R3.7798 O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 Amb20239420 [0,0,0,1,0,0|2,0,0]=3 21 B21R3.7798 O=C1NC(=O)[N-]C1(c2ccccc2)c3ccccc3 Amb20246446 [0,0,0,1,0,0|2,0,1]=4 22 B21R3.7798 O=C1[N-]C(=O)NC1(c2ccccc2)c3ccccc3 Amb22524343 [0,0,0,1,0,0|2,0,0]=3 23 B21R3.7798 [O-]C=1NC(C(=O)N1)(c2ccccc2)c3ccccc3 Amb22395928 [0,0,0,1,0,0|2,0,1]=4 24 B19R2.113616 NC(=O)S(=O)C(c1ccccc1)c2ccccc2 Amb20247300 [0,0,0,0,1,0|0,0,0]=1 25 B19R2.113616 O=C(N(c1ccccc1)c2ccccc2)C(=O)O Amb2170598 [0,0,0,0,1,0|3,0,0]=4 26 B19R2.113616 OC(=O)C(O)C(c1ccccc1)c2ccccc2 Amb22228844 [0,0,0,0,1,0|2,0,1]=4 27 B21R2.97772 NC(=N)CC(=O)NC(c1ccccc1)c2ccccc2 Amb22913407 [0,0,0,0,0,1|2,0,0]=3 28 B21R2.402445 CN(C(c1ccccc1)c2ccccc2)CCC(=O)O Amb17561236 [0,0,0,0,0,1|3,0,0]=4 29 B21R2.402445 O=C(N(c1ccccc1)c2ccccc2)CCC(=O)N Amb1836124 [0,0,0,0,0,1|2,0,0]=3 30 B21R2.402445 O=C(N(c1ccccc1)c2ccccc2)CSC(=O)C Amb1905584 [0,0,0,0,0,1|3,0,0]=4 31 B18R2.40 NCCOC(c1ccccc1)c2ccccc2 Amb17079382 [2,0,0,0,0,0|0,1,1]=4 32 B18R2.40 NCCSC(c1ccccc1)c2ccccc2 Amb17500466 [2,0,0,0,0,0|0,0,2]=4 33 B18R2.2312 NCC(=O)N(c1ccccc1)c2ccccc2 Amb13777384 [2,0,0,0,0,0|2,0,0]=4 34 B18R2.2312 NCC(=O)N(c1ccccc1)c2ccccc2 Amb17727757 [2,0,0,0,0,0|2,0,0]=4 35 B18R2.2312 NCC(C(c1ccccc1)c2ccccc2)O Amb17247798 [2,0,0,0,0,0|1,0,1]=4 36 B18R2.2312 O=C(CCl)C(c1ccccc1)c2ccccc2 Amb22395295 [2,0,0,0,0,0|2,0,0]=4 37 B18R2.2312 O=CN(C(c1ccccc1)c2ccccc2)C Amb10560068 [2,0,0,0,0,0|2,0,0]=4 38 B20R2.184796 NCCS(=O)(=O)C(c1ccccc1)c2ccccc2 Amb17500604 [1,1,0,0,0,0|0,0,2]=4 39 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccc2 Amb11229462 [1,1,0,0,0,0|0,1,0]=3 40 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 Amb10310513 [1,1,0,0,0,0|0,0,1]=3 41 B20R2.18148 ONC(=O)CSC(c1ccccc1)c2ccccc2 Amb17621800 [1,1,0,0,0,0|0,0,1]=3 42 B20R2.29400 CC(C(=O)O)SC(c1ccccc1)c2ccccc2 Amb17501628 [1,1,0,0,0,0|1,0,1]=4 43 B20R2.29400 NC(CC(c1ccccc1)c2ccccc2)C(O)=O Amb22235154 [1,1,0,0,0,0|2,0,0]=4 44 B20R2.77823 NC(=O)CSP(=O)(c1ccccc1)c2ccccc2 Amb2225110 [1,1,0,0,0,0|1,0,1]=4 45 B20R2.77823 OC(=O)CCC(O)(c1ccccc1)c2ccccc2 Amb22481751 [1,1,0,0,0,0|2,0,0]=4 46 B20R2.140971 NC(=O)CSC(c1ccccc1C)c2ccccc2 Amb132444 [1,1,0,0,0,0|0,0,1]=3 47 B20R2.240825 Cc1ccc(cc1)C(NCC(N)=O)c2ccccc2 Amb19421705 [1,1,0,0,0,0|1,0,0]=3 48 B20R2.240825 NC(=O)CSC(c1ccccc1)c2ccc(F)cc2 Amb24206031 [1,1,0,0,0,0|0,0,1]=3 49 B20R2.240825 OC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl Amb23343 [1,1,0,0,0,0|1,0,1]=4 50 B20R2.173263 CC(N)(C(c1ccccc1)c2ccccc2)C(N)=O Amb23919040 [0,1,0,0,1,0|2,0,0]=4 51 B22R2.984 CNC(=O)NC(=O)C(c1ccccc1)Nc2ccccc2 Amb123815 [0,1,0,0,0,1|2,0,0]=4 52 B22R2.355155 CN(C(=O)C(c1ccccc1)c2ccccc2)CC(=O)N Amb17283410 [0,1,0,0,0,1|2,0,0]=4 53 B22R2.24056 CN(CCC(N)=O)C(c1ccc(F)cc1)c2ccccc2 Amb20869467 [0,1,0,0,0,1|2,0,0]=4 54 B22R2.50849 O=C(C(c1ccccc1)(c2ccccc2)O)NCC(=O)O Amb16666083 [0,1,0,0,0,1|2,0,0]=4 55 B22R2.50849 O=C(C(c1ccccc1)(c2ccccc2)O)OCC(=O)N Amb1165882 [0,1,0,0,0,1|1,0,0]=3 56 B22R2.355012 CC(C(=O)O)NC(=O)C(c1ccccc1)c2ccccc2 Amb2581695 [0,1,0,0,0,1|2,0,0]=4 57 B22R2.355012 CC(NC(=O)C(c1ccccc1)c2ccccc2)C(N)=O Amb20799750 [0,1,0,0,0,1|1,0,0]=3 58 B22R2.355012 C[C@@H](C(=O)O)NC(=O)C(c1ccccc1)c2ccccc2 Amb1198909 [0,1,0,0,0,1|2,0,0]=4 59 B22R2.595935 COC(=O)CNC(=O)C(c1ccccc1)c2ccccc2 Amb13958243 [0,1,0,0,0,1|2,0,0]=4 60 B22R2.595935 NNC(=O)CCC(=O)N(c1ccccc1)c2ccccc2 Amb1815229 [0,1,0,0,0,1|2,0,0]=4 61 B22R2.20357 CNC(=O)CN(C)C(c1ccc(F)cc1)c2ccccc2 Amb20866048 [0,2,0,0,0,0|2,0,0]=4 62 B22R2.468610 CCOC(=O)CS(=O)C(c1ccccc1)c2ccccc2 Amb17613462 [0,2,0,0,0,0|1,0,0]=3 63 B22R2.738516 CC(C(=O)NO)C(=O)N(c1ccccc1)c2ccccc2 Amb24096633 [0,2,0,0,0,0|2,0,0]=4 64 B22R2.531885 NC(=O)CC(=O)N(c1ccc(F)cc1)c2ccc(F)cc2 Amb22490245 [0,2,0,0,0,0|2,0,0]=4 65 B20R3.8612 O=C1CN(C1)C(c2ccccc2)c3ccccc3 Amb10561062 [1,0,0,1,0,0|2,0,0]=4 66 B20R3.12802 O=C1CC(=O)c2c(N1c3ccccc3)cccc2 Amb1582040 [1,0,0,1,0,0|2,0,0]=4 67 B20R3.12802 O=C1NC(=O)c2c(C1c3ccccc3)cccc2 Amb2439805 [1,0,0,1,0,0|2,0,0]=4 68 B20R3.82827 O=CC1C(=O)N(c2c1cccc2)c3ccccc3 Amb2388511 [1,0,0,1,0,0|2,0,0]=4 69 B20R3.5687 O=C1CCC(c2c(N1)cccc2)c3ccccc3 Amb10604273 [1,0,0,1,0,0|1,0,0]=3 70 B20R3.5687 O=C1CNC(c2ccccc2N1)c3ccccc3 Amb19516614 [1,0,0,1,0,0|1,0,0]=3 71 B20R3.5687 O=C1CSC(c2ccccc2N1)c3ccccc3 Amb22443695 [1,0,0,1,0,0|0,0,1]=3 72 B20R3.651490 OC(=O)CSC1c2ccccc2c3c1cccc3 Amb13893185 [1,0,0,1,0,0|1,0,1]=4 73 B22R3.235742 O=C1NC(=O)C(N1)(Cc2ccccc2)c3ccccc3 Amb1543464 [0,0,0,1,0,1|2,0,0]=4 74 B22R3.35336 NC(=O)CN1Cc2ccccc2[C@@H](C1)c3ccccc3 Amb24105392 [0,0,0,1,0,1|2,0,0]=4 75 B22R3.35336 NC(=O)CN1Cc2ccccc2[C@H](C1)c3ccccc3 Amb24105391 [0,0,0,1,0,1|2,0,0]=4 76 B22R3.35258 NC(=O)C1CCN1C(c2ccccc2)c3ccccc3 Amb20248771 [0,1,0,1,0,0|2,0,0]=4 77 B22R3.12644 O=C1CC(=O)C(CC1)(c2ccccc2)c3ccccc3 Amb22489627 [0,1,0,1,0,0|2,0,0]=4 78 B22R3.15235942 O=C1NC(=O)C(N1)(c2ccc(cc2)O)c3ccccc3 Amb1125953 [0,1,0,1,0,0|2,0,0]=4 79 B22R3.236145 CN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3 Amb10555284 [0,1,0,1,0,0|2,0,0]=4 80 B22R3.5441013 Oc1cccc(c1)C2(NC(=O)NC2=O)c3ccccc3 Amb17615703 [0,1,0,1,0,0|2,0,0]=4 81 B22R3.10667510 O=C1CC(=O)N(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb17612154 [0,1,0,1,0,0|2,0,0]=4 82 B22R4.8403251 O=C1NC(=O)C2(N1)c3ccccc3c4c2cccc4 Amb1138676 [0,0,0,2,0,0|2,0,0]=4 83 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccc2 Amb1233566 [1,0,0,0,1,0|2,0,0]=4 84 B18R2.7184 CC(=O)SC(c1ccccc1)c2ccccc2 Amb22351949 [1,0,0,0,1,0|1,0,1]=4 85 B18R2.7184 NC(=N)NC(c1ccccc1)c2ccccc2 Amb22464027 [1,0,0,0,1,0|2,0,0]=4 86 B18R2.7184 NC(=N)SC(c1ccccc1)c2ccccc2 Amb17621801 [1,0,0,0,1,0|1,0,1]=4 87 B18R2.7184 NC(=O)CC(c1ccccc1)c2ccccc2 Amb1797501 [1,0,0,0,1,0|0,0,0]=2 88 B18R2.7184 NC(=S)CC(c1ccccc1)c2ccccc2 Amb18627057 [1,0,0,0,1,0|0,1,0]=3 89 B18R2.7184 OC(=O)CC(c1ccccc1)c2ccccc2 Amb2224461 [1,0,0,0,1,0|1,0,0]=3 90 B18R2.7184 OC(=O)CN(c1ccccc1)c2ccccc2 Amb1214298 [1,0,0,0,1,0|2,0,0]=4 91 B18R2.7184 OC(=O)CP(c1ccccc1)c2ccccc2 Amb2232666 [1,0,0,0,1,0|2,0,0]=4 92 B20R2.14082 NCCC(=O)NC(c1ccccc1)c2ccccc2 Amb19134551 [1,0,0,0,0,1|1,0,1]=4 93 B20R2.10559 OC(=O)CSC(c1ccccc1)Nc2ccccc2 Amb2520791 [1,0,0,0,0,1|1,0,1]=4 94 B20R2.10799 NC(=N)NCCC(c1ccccc1)c2ccccc2 Amb19264290 [1,0,0,0,0,1|2,0,0]=4 95 B20R2.10799 NC(=O)NCCC(c1ccccc1)c2ccccc2 Amb10193188 [1,0,0,0,0,1|1,0,0]=3 96 B22R2.150198 OC(=O)CNC(=O)C(c1ccccc1)Cc2ccccc2 Amb17148304 [0,0,0,0,0,2|2,0,0]=4 97 B22R2.50919 O=C(CC(c1ccccc1)c2ccccc2)OCC(=O)N Amb2262440 [0,0,0,0,0,2|1,0,0]=3 98 B22R2.359629 O=C(N(c1ccccc1)c2ccccc2)COCC(=O)N Amb1842229 [0,0,0,0,0,2|2,0,0]=4