0 B21R3.7798 C[C@@H]1NC(=O)OC1(c2ccccc2)c3ccccc3 Amb22336480 [0,0,0,0,0,0|2,0,1]=3 1 B21R3.7798 C[C@H]1NC(=O)OC1(c2ccccc2)c3ccccc3 Amb22351572 [0,0,0,0,0,0|2,0,1]=3 2 B21R3.7798 N=C1NC(=O)C(c2ccccc2)(c3ccccc3)N1 Amb1797586 [0,0,0,0,0,0|1,0,0]=1 3 B21R3.7798 NC1=NC(c2ccccc2)(c3ccccc3)C(=O)N1 Amb1101130 [0,0,0,0,0,0|1,0,1]=2 4 B21R3.7798 O=C1N=C([O-])NC1(c2ccccc2)c3ccccc3 Amb22395928 [0,0,0,0,0,0|0,0,2]=2 5 B21R3.7798 O=C1NC(=O)C(c2ccccc2)(c3ccccc3)N1 Amb35745914 [0,0,0,0,0,0|0,0,0]=0 6 B21R3.7798 O=C1NC(=O)C(c2ccccc2)(c3ccccc3)N1 Amb6355901 [0,0,0,0,0,0|0,0,0]=0 7 B21R3.7798 O=C1NC(=O)C(c2ccccc2)(c3ccccn3)N1 Amb6333344 [0,0,0,0,0,0|1,0,0]=1 8 B21R3.7798 O=C1NC(=S)NC1(c2ccccc2)c3ccccc3 Amb8495635 [0,0,0,0,0,0|0,1,0]=1 9 B21R3.7798 O=C1[N-]C(=O)C(c2ccccc2)(c3ccccc3)N1 Amb22524343 [0,0,0,0,0,0|0,0,1]=1 10 B21R3.7798 O=C1[N-]C(=O)C(c2ccccc2)(c3ccccc3)N1 Amb2717761 [0,0,0,0,0,0|0,0,1]=1 11 B20R3.7974 O=C1OCCC1(c2ccccc2)c3ccccc3 Amb3940402 [1,0,0,0,0,0|2,0,1]=4 12 B20R3.27675 O=C1C=CC(c2ccccc2)(c3ccccc3)O1 Amb34890465 [1,0,0,0,0,0|2,0,0]=3 13 B22R3.235810 CC1(C)NC(=O)OC1(c2ccccc2)c3ccccc3 Amb31289844 [0,1,0,0,0,0|2,0,1]=4 14 B22R3.236145 NN1C(=O)NC(c2ccccc2)(c3ccccc3)C1=O Amb6372578 [0,1,0,0,0,0|0,0,0]=1 15 B22R3.236145 O=C1NC(c2ccccc2)(c3ccccc3)C(=O)N1[Na] Amb8627790 [0,1,0,0,0,0|0,0,0]=1 16 B22R3.15235942 Cc1ccc(C2(c3ccccc3)NC(=O)NC2=O)cc1 Amb6336111 [0,1,0,0,0,0|0,0,0]=1 17 B22R3.15235942 O=C1NC(=O)C(c2ccccc2)(c3ccc(O)cc3)N1 Amb1125953 [0,1,0,0,0,0|0,0,0]=1 18 B20R2.14082 CNCC(=O)NC(c1ccccc1)c2ccccc2 Amb21953931 [0,0,1,0,0,0|3,0,0]=4 19 B20R2.14082 CNCC(=O)NC(c1ccccc1)c2ccccc2 Amb28729036 [0,0,1,0,0,0|3,0,0]=4 20 B20R2.14082 CNCC(=O)NC(c1ccccc1)c2ccccc2 Amb7088897 [0,0,1,0,0,0|3,0,0]=4 21 B20R2.14082 N#CCC(=O)NC(c1ccccc1)c2ccccc2 Amb3368555 [0,0,1,0,0,0|2,0,1]=4 22 B20R2.14082 NCCC(=O)NC(c1ccccc1)c2ccccc2 Amb19134551 [0,0,1,0,0,0|2,0,1]=4 23 B20R2.14082 O=C(CCBr)NC(c1ccccc1)c2ccccc2 Amb17322945 [0,0,1,0,0,0|2,0,1]=4 24 B20R2.14082 O=C(CCCl)NC(c1ccccc1)c2ccccc2 Amb6751792 [0,0,1,0,0,0|2,0,1]=4 25 B20R2.14082 O=C=NC(=O)CC(c1ccccc1)c2ccccc2 Amb17262083 [0,0,1,0,0,0|1,0,2]=4 26 B20R2.174637 CC(=O)CC(=O)N(c1ccccc1)c2ccccc2 Amb17596981 [0,0,1,0,0,0|3,0,0]=4 27 B20R2.174637 NC(=O)CS(=O)C(c1ccccc1)c2ccccc2 Amb842557 [0,0,1,0,0,0|2,0,0]=3 28 B20R2.174637 NC(=O)C[S@@](=O)C(c1ccccc1)c2ccccc2 Amb22168550 [0,0,1,0,0,0|2,0,0]=3 29 B20R2.174637 NC(=O)C[S@](=O)C(c1ccccc1)c2ccccc2 Amb32992111 [0,0,1,0,0,0|2,0,0]=3 30 B20R2.174637 O=C(O)CS(=O)C(c1ccccc1)c2ccccc2 Amb842556 [0,0,1,0,0,0|3,0,0]=4 31 B20R2.192768 C=CCC(C(=O)O)(c1ccccc1)c2ccccc2 Amb2731589 [0,0,1,0,0,0|3,0,0]=4 32 B22R3.235742 NC1=NC(=O)C(Cc2ccccc2)(c3ccccc3)N1 Amb20672596 [0,0,0,0,0,1|1,0,1]=3 33 B22R3.235742 O=C1NC(=O)C(Cc2ccccc2)(c3ccccc3)N1 Amb1543464 [0,0,0,0,0,1|0,0,0]=1 34 B19R2.9813 O=C=NC(=O)C(c1ccccc1)c2ccccc2 Amb17253521 [1,0,1,0,0,0|0,0,2]=4 35 B19R2.12728 NNC(=O)C(O)(c1ccccc1)c2ccccc2 Amb1807630 [1,0,1,0,0,0|2,0,0]=4 36 B19R2.12918 C=CC(=O)NC(c1ccccc1)c2ccccc2 Amb9480634 [1,0,1,0,0,0|1,0,0]=3 37 B19R2.12918 NCC(=O)NC(c1ccccc1)c2ccccc2 Amb19134550 [1,0,1,0,0,0|1,0,1]=4 38 B19R2.12918 NCC(=O)NC(c1ccccc1)c2ccccc2 Amb575978 [1,0,1,0,0,0|1,0,1]=4 39 B19R2.12918 NNC(=O)CC(c1ccccc1)c2ccccc2 Amb6857897 [1,0,1,0,0,0|2,0,0]=4 40 B19R2.12918 NNC(=S)NC(c1ccccc1)c2ccccc2 Amb2684574 [1,0,1,0,0,0|1,1,0]=4 41 B19R2.12918 O=C(CBr)NC(c1ccccc1)c2ccccc2 Amb17323569 [1,0,1,0,0,0|1,0,1]=4 42 B19R2.12918 O=C(CC(c1ccccc1)c2ccccc2)NO Amb17255589 [1,0,1,0,0,0|1,0,1]=4 43 B19R2.12918 O=C(CCl)NC(c1ccccc1)c2ccccc2 Amb1195945 [1,0,1,0,0,0|1,0,1]=4 44 B19R2.13577 CC(=O)\C=C\C(c1ccccc1)c2ccccc2 Amb33082960 [1,0,1,0,0,0|2,0,0]=4 45 B19R2.13577 NC(=O)CSC(c1ccccc1)c2ccccc2 Amb8387277 [1,0,1,0,0,0|2,0,0]=4 46 B19R2.13577 O=C(O)\C=C\C(c1ccccc1)c2ccccc2 Amb33082935 [1,0,1,0,0,0|2,0,0]=4 47 B21R2.4836257 NC(=O)NC(C(=O)O)(c1ccccc1)c2ccccc2 Amb33756896 [0,1,1,0,0,0|0,0,0]=2 48 B21R2.16928 O=C(CS(=O)C(c1ccccc1)c2ccccc2)NO Amb8395222 [0,1,1,0,0,0|2,0,0]=4 49 B21R2.401059 NC(=O)CS(=O)(=O)C(c1ccccc1)c2ccccc2 Amb1893640 [0,1,1,0,0,0|2,0,0]=4 50 B21R3.7675 O=C1OC(c2ccccc2)(c3ccccc3)C=C1O Amb17844047 [1,1,0,0,0,0|2,0,0]=4 51 B21R3.239162 CC1(C)C(=O)NC1(c2ccccc2)c3ccccc3 Amb2387471 [0,1,0,0,1,0|1,0,1]=4 52 B23R3.7707214 Cc1ccc(CC2(c3ccccc3)NC(N)=NC2=O)cc1 Amb20672599 [0,1,0,0,0,1|1,0,1]=4 53 B23R3.7707214 NC1=NC(=O)C(Cc2ccc(Cl)cc2)(c3ccccc3)N1 Amb20672587 [0,1,0,0,0,1|1,0,1]=4 54 B23R3.7707214 NC1=NC(=O)C(Cc2ccc(F)cc2)(c3ccccc3)N1 Amb20672589 [0,1,0,0,0,1|1,0,1]=4 55 B23R3.7916386 NC1=NC(=O)C(Cc2ccccc2)(c3cccc(Cl)c3)N1 Amb20672278 [0,1,0,0,0,1|1,0,1]=4 56 B23R3.7929030 NC1=NC(=O)C(Cc2cccc(F)c2)(c3ccccc3)N1 Amb20672608 [0,1,0,0,0,1|1,0,1]=4 57 B23R3.9987400 NC1=NC(=O)C(Cc2ccccc2F)(c3ccccc3)N1 Amb20672601 [0,1,0,0,0,1|1,0,1]=4 58 B23R3.24453576 Cc1ccc(C2(Cc3ccccc3)NC(N)=NC2=O)cc1 Amb20672420 [0,1,0,0,0,1|1,0,1]=4 59 B23R3.24453576 NC1=NC(=O)C(Cc2ccccc2)(c3ccc(Br)cc3)N1 Amb20672348 [0,1,0,0,0,1|1,0,1]=4 60 B23R3.24453576 NC1=NC(=O)C(Cc2ccccc2)(c3ccc(Cl)cc3)N1 Amb20672662 [0,1,0,0,0,1|1,0,1]=4 61 B23R3.24453576 NC1=NC(=O)C(Cc2ccccc2)(c3ccc(F)cc3)N1 Amb20672311 [0,1,0,0,0,1|1,0,1]=4 62 B23R3.24453577 O=C1NC(=O)C(c2ccc(F)cc2)(c3ccc(F)cc3)N1 Amb2371123 [0,2,0,0,0,0|0,0,0]=2 63 B21R3.7545 S=C1NN=C(C(c2ccccc2)c3ccccc3)N1 Amb18114852 [0,0,1,1,0,0|1,1,0]=4 64 B21R3.29589416 O=C1OC(C(=O)O)(c2ccccc2)c3ccccc31 Amb17596996 [0,0,1,1,0,0|2,0,0]=4 65 B19R2.113616 C=C(C(=O)O)C(c1ccccc1)c2ccccc2 Amb33082283 [0,0,1,0,1,0|2,0,0]=4 66 B19R2.113616 CC(N)C(=O)C(c1ccccc1)c2ccccc2 Amb33082058 [0,0,1,0,1,0|1,0,1]=4 67 B19R2.113616 O=C(O)C(=O)C(c1ccccc1)c2ccccc2 Amb33082062 [0,0,1,0,1,0|1,0,0]=3 68 B19R3.2141314 O=C1NC(=O)C(c2cccs2)(c3cccs3)N1 Amb2333039 [0,0,0,0,2,0|2,0,0]=4 69 B21R2.402445 CC(=O)NNC(=O)C(c1ccccc1)c2ccccc2 Amb3714055 [0,0,1,0,0,1|1,0,0]=3 70 B21R2.402445 O=C(O)CNC(=O)C(c1ccccc1)c2ccccc2 Amb6355420 [0,0,1,0,0,1|1,0,0]=3 71 B23R3.131098 O=C1NC(=O)C(Cc2ccccc2)(Cc3ccccc3)N1 Amb1543430 [0,0,0,0,0,2|0,0,0]=2