0 B5R0.4 C=CS(=O)(=O)Cl H11052 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.4 C=CS(=O)(=O)O T71619 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.4 C=CS(N)(=O)=O D75049 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.4 CNS(=O)(=O)Cl 29896 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.4 CNS(N)(=O)=O F20082 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.4 COS(=O)(=O)Cl I11450 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.4 CO[P@@](C)(=O)Cl D95174 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.4 O=S(=O)(O)O[O-] D78337 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.1 NCC(=O)O A10882 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 NCC(=O)O T72551 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.3 CP(C)(C)=O F20530 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.3 CS(=O)(=O)[O-] D91356 [1,0,0,0,0,0|0,0,1]=2 12 B4R0.3 CS(C)(=N)=O W15490 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.3 C[Si](C)(C)O 29085 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.3 O=S(=O)([O-])[O-] AC2541 [1,0,0,0,0,0|0,0,2]=3 15 B4R0.3 O=S(=O)([O-])[O-] AC2638 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.5 C#CCS(=O)(=O)Cl AC5902 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.5 C#CCS(=O)(=O)[O-] AT26628 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.5 C=CCS(=O)(=O)Cl 80232 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.5 CCCP(=O)(O)O C15829 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.5 CCOS(=O)(=O)Cl FD10603 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.5 CS(=O)(=O)CCBr AC1299 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.5 N#CCS(=O)(=O)Cl H11940 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.5 NS(=O)(=O)CCO 91995 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.5 O=P(O)(O)CCBr S12083 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.5 O=P(O)(O)CCO D97366 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.5 O=S(=O)(O)CCBr 28570 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.7 N=C(N)S(=O)(=O)O C71584 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.8 CCS(=O)(=O)CCl 72654 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.8 CNS(=O)(=O)NC D93445 [0,1,0,0,0,0|2,0,0]=3 30 B6R1.10 O=S1(=O)CCN1 AT12682 [0,0,0,1,0,0|2,0,0]=3 31 B3R0.2 CC(=O)[O-] AC2626 [2,0,0,0,0,0|1,0,1]=4 32 B3R0.2 CC(=O)[O-] D70195 [2,0,0,0,0,0|1,0,1]=4 33 B3R0.2 CC(=O)[O-] I11566 [2,0,0,0,0,0|1,0,1]=4 34 B3R0.2 C[13C](=O)O 41422 [2,0,0,0,0,0|1,0,0]=3 35 B3R0.2 [13CH3]C(=O)O 41421 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.3 CO[C@@H](C)CO 91002 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.8 C#CCOS(C)(=O)=O S11862 [0,2,0,0,0,0|1,0,0]=3 38 B7R0.8 C=CCCS(=O)(=O)Cl AC5941 [0,2,0,0,0,0|2,0,0]=4 39 B7R0.8 CNCCS(=O)(=O)O A10810 [0,2,0,0,0,0|1,0,0]=3 40 B7R0.8 CS(=O)(=O)CCCCl Y14711 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.8 CS(=O)(=O)CCCN D70786 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.8 CS(=O)(=O)NCCCl 31219 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.8 NCCCS(N)(=O)=O AC1738 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.8 O=S(=O)(Cl)NCCCl 31971 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.11 CCOS(=O)(=O)CC A10945 [0,2,0,0,0,0|1,0,0]=3 46 B7R0.11 CCS(=O)(=O)CCN AR2318 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.13 C=CS(=O)(=O)N(C)C 35957 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.17 CC(C)(C)S(=O)(=O)Cl C77642 [0,2,0,0,0,0|2,0,0]=4 49 B7R1.14 O=S1(=O)CCCO1 D77717 [0,1,0,1,0,0|1,0,0]=3 50 B7R1.14 O=S1(=O)NCCN1 77815 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.16 NC1CS(=O)(=O)C1 72849 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.16 NC1CS(=O)(=O)C1 P12401 [0,1,0,1,0,0|2,0,0]=4 53 B7R1.16 O=S1(=O)CC(Br)C1 AT23423 [0,1,0,1,0,0|2,0,0]=4 54 B7R1.16 O=S1(=O)CC(Br)C1 FD15009 [0,1,0,1,0,0|2,0,0]=4