0 B17R2.96300 CC1=CN(C2C=CC(CO)O2)C(=O)N=C1O Amb22557676 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.96300 CC1=CN(C2CCC(CO)O2)C(=O)NC1=O Amb19891279 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.96300 CC1=CN([C@@H]2CC[C@H](CO)O2)C(=O)NC1=O Amb17933812 [0,0,0,0,0,0|3,0,1]=4 3 B17R2.96300 CC1=CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O Amb22337720 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.96300 NC1=NC(=O)N(C2CSC(CO)O2)C=C1F Amb28536249 [0,0,0,0,0,0|0,0,0]=0 5 B17R2.96300 NC1=NC(=O)N([C@@H]2CS[C@H](CO)O2)C=C1F Amb20243251 [0,0,0,0,0,0|0,0,0]=0 6 B17R2.96300 O=C1NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1I Amb22347749 [0,0,0,0,0,0|2,1,1]=4 7 B16R2.2335 N=C1C=CN(C2CSC(CO)O2)C(O)=N1 Amb23566679 [1,0,0,0,0,0|0,0,2]=3 8 B16R2.2335 NC1=NC(=O)N([C@@H]2CC[C@H](CO)O2)C=C1 Amb22745292 [1,0,0,0,0,0|1,0,0]=2 9 B16R2.2335 NC1=NC(=O)N([C@@H]2CO[C@H](CO)S2)C=C1 Amb22747874 [1,0,0,0,0,0|0,2,0]=3 10 B16R2.2335 NC1=NC(=O)N([C@@H]2CS[C@H](CO)O2)C=C1 Amb19372824 [1,0,0,0,0,0|0,0,0]=1 11 B16R2.2335 NC1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1 Amb22045224 [1,0,0,0,0,0|1,0,0]=2 12 B16R2.2335 Nc1ccn(C2CO[C@H](CO)O2)c(=O)n1 Amb8393877 [1,0,0,0,0,0|0,1,0]=2 13 B16R2.2335 O=C1C=CN([C@H]2CC[C@@H](CO)O2)C(=O)N1 Amb22347839 [1,0,0,0,0,0|2,0,1]=4 14 B16R2.2335 O=c1ccn([C@@H]2CC[C@H](CO)O2)c(=O)n1 Amb3997231 [1,0,0,0,0,0|2,0,1]=4 15 B18R2.165926 CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)N=C1N Amb31292937 [0,1,0,0,0,0|2,0,0]=3 16 B18R2.165926 CC1=CN([C@H]2C[C@@H](O)[C@@H](CO)O2)C(=O)N=C1N Amb34916714 [0,1,0,0,0,0|2,0,0]=3 17 B18R2.165926 CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N Amb20243187 [0,1,0,0,0,0|2,0,0]=3 18 B18R2.165926 NC1=NC(=O)N(C2CC(O)C(CO)O2)C=C1I Amb19654025 [0,1,0,0,0,0|1,1,0]=3 19 B18R2.165926 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1F Amb22745263 [0,1,0,0,0,0|1,0,0]=2 20 B18R2.165926 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1I Amb31292798 [0,1,0,0,0,0|1,1,0]=3 21 B18R2.165926 NC1=NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1Br Amb34915338 [0,1,0,0,0,0|1,1,0]=3 22 B18R2.165926 NC1=NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1I Amb34912248 [0,1,0,0,0,0|1,1,0]=3 23 B18R2.165926 NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1F Amb20243213 [0,1,0,0,0,0|1,0,0]=2 24 B18R2.165926 NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1I Amb20240576 [0,1,0,0,0,0|1,1,0]=3 25 B18R2.165926 O=C1NC(=O)N(C2CC(O)C(CO)O2)C=C1F Amb19514520 [0,1,0,0,0,0|2,0,1]=4 26 B18R2.165926 O=C1NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1F Amb19132326 [0,1,0,0,0,0|2,0,1]=4 27 B18R2.165926 O=c1nc(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1F Amb10839744 [0,1,0,0,0,0|2,0,1]=4 28 B18R2.165926 O=c1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1F Amb9814144 [0,1,0,0,0,0|2,0,1]=4 29 B15R2.275 Nc1ccc([C@H]2CC[C@@H](CO)O2)cn1 Amb27202231 [2,0,0,0,0,0|2,0,0]=4 30 B15R2.1153 NC1=NC(=O)N(C2CSC(O)O2)C=C1 Amb22261451 [2,0,0,0,0,0|0,0,0]=2 31 B15R2.15599 CC1=CN(C2CCCO2)C(=O)N=C1N Amb27392294 [2,0,0,0,0,0|2,0,0]=4 32 B17R2.10947 NC1=NC(=O)N(C2CC(O)C(CO)O2)C=C1 Amb18363428 [1,1,0,0,0,0|1,0,0]=3 33 B17R2.10947 NC1=NC(=O)N(C2C[C@H](O)[C@@H](CO)O2)C=N1 Amb34913413 [1,1,0,0,0,0|2,0,0]=4 34 B17R2.10947 NC1=NC(=O)N([C@@H]2CC(O)[C@@H](CO)O2)C=N1 Amb31308247 [1,1,0,0,0,0|2,0,0]=4 35 B17R2.10947 NC1=NC(=O)N([C@@H]2CC(O)[C@H](CO)O2)C=C1 Amb22800681 [1,1,0,0,0,0|1,0,0]=3 36 B17R2.10947 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1 Amb28974624 [1,1,0,0,0,0|1,0,0]=3 37 B17R2.10947 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=N1 Amb31292252 [1,1,0,0,0,0|2,0,0]=4 38 B17R2.10947 NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=C1 Amb20240537 [1,1,0,0,0,0|1,0,0]=3 39 B17R2.10947 NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C=N1 Amb20240580 [1,1,0,0,0,0|2,0,0]=4 40 B17R2.10947 Nc1ccn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1 Amb17611826 [1,1,0,0,0,0|1,0,0]=3 41 B17R2.10947 Nc1ccn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)n1 Amb16232202 [1,1,0,0,0,0|1,0,0]=3 42 B17R2.10947 Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 Amb2715305 [1,1,0,0,0,0|1,0,0]=3 43 B17R2.10947 Nc1ncn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1 Amb17608602 [1,1,0,0,0,0|2,0,0]=4 44 B17R2.10947 [NH3+]C1=NC(=O)N([C@H]2C[C@@H](O)[C@@H](CO)O2)C=C1 Amb22049499 [1,1,0,0,0,0|1,0,1]=4 45 B19R2.279485 NC1=NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)O2)C=C1[Hg]Cl Amb28463581 [0,2,0,0,0,0|1,1,0]=4 46 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N Amb19930491 [0,2,0,0,0,0|2,0,0]=4 47 B19R2.3613666 CC1=CN([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(=O)N=C1N Amb34915512 [0,2,0,0,0,0|2,0,0]=4 48 B19R2.3613666 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)C=C1I Amb32405112 [0,2,0,0,0,0|1,1,0]=4 49 B19R2.3613666 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1Br Amb22746197 [0,2,0,0,0,0|1,1,0]=4 50 B19R2.3613666 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1F Amb19883992 [0,2,0,0,0,0|1,0,0]=3 51 B19R2.3613666 NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1I Amb20242410 [0,2,0,0,0,0|1,1,0]=4 52 B19R2.3613666 Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1F Amb10842032 [0,2,0,0,0,0|1,0,0]=3 53 B15R2.1996 NC1=NC(=O)N([C@H]2C[C@@H](CO)C2)C=C1 Amb27463235 [1,0,0,0,1,0|1,0,0]=3