0 B6R0.5 CC(C)(O)CCCl D86387 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.5 CONS(N)(=O)=O AT20298 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.5 O=S(=O)(Cl)CCF AT12628 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.5 [2H]C([2H])(O)CCC D98200 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 C[C@H](O)CCN D77178 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.4 C#CS(C)(=O)=O AT11264 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.4 CS(=O)(=O)CBr AT13120 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.4 O=S(=O)(Cl)CF AT12627 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.8 C#CCNS(N)(=O)=O AT20299 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.8 CNCCS(=O)(=O)F AT24778 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.8 CS(C)(=O)=NCCN AT25739 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.8 CSCCS(N)(=O)=O AT20773 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.8 NS(=O)(=O)NCCO AT20309 [0,1,0,0,0,0|1,1,0]=3 14 B7R0.9 CC(=O)CS(=O)(=O)F E73418 [0,1,0,0,0,0|1,1,1]=4 15 B7R1.14 O=S1(=O)CCC=N1 38085 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.16 O=C1CS(=O)(=O)C1 D75198 [0,0,0,1,0,0|1,1,1]=4 17 B6R0.1 NCCC(=O)NO AT14832 [1,1,0,0,0,0|2,0,0]=4 18 B6R0.3 NC[C@H](F)C(=O)O 94834 [1,1,0,0,0,0|2,0,0]=4 19 B6R0.3 NC[C@H](F)C(=O)O 94835 [1,1,0,0,0,0|2,0,0]=4 20 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [1,1,0,0,0,0|2,0,0]=4 21 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [1,1,0,0,0,0|2,0,0]=4 22 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [1,1,0,0,0,0|2,0,0]=4 23 B6R0.8 CCS(=N)(=O)CC AT25733 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.21 CCCCNS(N)(=O)=O D76849 [0,2,0,0,0,0|2,0,0]=4 25 B8R0.21 NCCCNS(N)(=O)=O D77161 [0,2,0,0,0,0|2,0,0]=4 26 B8R0.21 [N-]=[N+]=NCCS(=O)(=O)F E73381 [0,2,0,0,0,0|2,0,0]=4 27 B8R0.29 CN(C)CCS(=O)(=O)Cl AT20701 [0,2,0,0,0,0|2,0,0]=4 28 B8R0.33 CC(C)(C)CS(=O)(=O)Cl AT12632 [0,2,0,0,0,0|2,0,0]=4 29 B8R0.33 NS(=O)(=O)CC(F)(F)F AT20775 [0,2,0,0,0,0|2,0,0]=4 30 B8R1.21 CC1CC1S(=O)(=O)F AT20658 [0,1,0,1,0,0|2,0,0]=4 31 B8R1.21 C[C@H]1C[C@@H]1S(=O)(=O)Cl AT12610 [0,1,0,1,0,0|2,0,0]=4 32 B8R1.51 C[C@H]1CCS(=O)(=O)N1 AT12410 [0,1,0,1,0,0|2,0,0]=4 33 B8R1.51 C[C@H]1CNS(=O)(=O)C1 AT12411 [0,1,0,1,0,0|2,0,0]=4 34 B8R1.53 C#CC1CS(=O)(=O)C1 F53584 [0,1,0,1,0,0|2,0,0]=4 35 B8R1.53 NCC1CS(=O)(=O)C1 AT12528 [0,1,0,1,0,0|2,0,0]=4 36 B8R1.53 NCC1CS(=O)(=O)C1 P19036 [0,1,0,1,0,0|2,0,0]=4 37 B8R1.53 O=S1(=O)CC(CI)C1 AT13057 [0,1,0,1,0,0|2,0,0]=4 38 B8R1.55 NS(=O)(=O)C1CNC1 AT23268 [0,1,0,1,0,0|2,0,0]=4 39 B8R1.55 O=S(=O)(F)C1CCC1 AT20662 [0,1,0,1,0,0|2,0,0]=4 40 B8R1.55 O=S(=O)(F)C1CNC1 AT13282 [0,1,0,1,0,0|2,0,0]=4 41 B8R1.56 O=S(=O)(Cl)NC1CC1 E72825 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.19 C[C@H]1CCNS1(=O)=O AT12412 [0,1,0,1,0,0|2,0,0]=4 43 B8R1.70 CC1(S(=O)(=O)F)CC1 AT20659 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.70 O=S(=O)(Cl)C1(Br)CC1 AT12615 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.70 O=S(=O)(Cl)C1(Cl)CC1 AT12614 [0,1,0,1,0,0|2,0,0]=4