0 B6R0.5 C#CCS(=O)(=O)Cl AC5902 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 C#CCS(=O)(=O)[O-] AT26628 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.5 C=CCS(=O)(=O)Cl 80232 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.5 CC(C)(O)CCN A51232 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.5 CCCP(=O)(O)O C15829 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.5 CCOS(=O)(=O)Cl FD10603 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.5 CS(=O)(=O)CCBr AC1299 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.5 C[Si](C)(C)CCS 74594 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.5 N#CCS(=O)(=O)Cl H11940 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.5 NS(=O)(=O)CCO 91995 [0,0,0,0,0,0|1,1,0]=2 10 B6R0.5 O=P(O)(O)CCBr S12083 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.5 O=P(O)(O)CCO D97366 [0,0,0,0,0,0|1,1,1]=3 12 B6R0.5 O=S(=O)(O)CCBr 28570 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.1 C[C@H](O)CCN 83616 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.4 C=CS(=O)(=O)Cl H11052 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.4 C=CS(=O)(=O)O T71619 [1,0,0,0,0,0|0,0,2]=3 16 B5R0.4 C=CS(N)(=O)=O D75049 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.4 CNS(=O)(=O)Cl 29896 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.4 CNS(N)(=O)=O F20082 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.4 COS(=O)(=O)Cl I11450 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.4 O=S(=O)(O)O[O-] D78337 [1,0,0,0,0,0|1,1,0]=3 21 B7R0.8 C#CCOS(C)(=O)=O S11862 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.8 C=CCCS(=O)(=O)Cl AC5941 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.8 CNCCS(=O)(=O)O A10810 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.8 CS(=O)(=O)CCCCl Y14711 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.8 CS(=O)(=O)CCCN D70786 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.8 CS(=O)(=O)NCCCl 31219 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.8 NCCCS(N)(=O)=O AC1738 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.8 O=P(O)(O)CCCBr T70133 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.8 O=S(=O)(Cl)NCCCl 31971 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.11 CCOS(=O)(=O)CC A10945 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.11 CCS(=O)(=O)CCN AR2318 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.14 O=S1(=O)CCCO1 D77717 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.14 O=S1(=O)NCCN1 77815 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.16 NC1CS(=O)(=O)C1 72849 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.16 NC1CS(=O)(=O)C1 P12401 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.16 O=S1(=O)CC(Br)C1 AT23423 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.16 O=S1(=O)CC(Br)C1 FD15009 [0,0,0,1,0,0|2,0,0]=3 38 B4R0.1 NCC(=O)O A10882 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.1 NCC(=O)O T72551 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.2 NCCCS A11074 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.2 OCCCO D77845 [2,0,0,0,0,0|1,1,0]=4 42 B4R0.2 OCCCS D78398 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.2 SCCCBr 77989 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.3 CS(=O)(=O)[O-] D91356 [2,0,0,0,0,0|0,0,1]=3 45 B4R0.3 CS(C)(=N)=O W15490 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.3 O=S(=O)([O-])[O-] AC2541 [2,0,0,0,0,0|0,1,1]=4 47 B4R0.3 O=S(=O)([O-])[O-] AC2638 [2,0,0,0,0,0|0,1,1]=4 48 B6R0.1 CNC(=O)CCS A11187 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,1,0,0,0,0|1,1,0]=4 50 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.3 C[C@@H](CN)C(=O)O F15101 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.3 C[C@@H](CN)C(=O)O F15242 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [1,1,0,0,0,0|1,1,0]=4 54 B6R0.3 NC[C@H](F)C(=O)O T73016 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.3 NC[C@H](O)C(=O)O O10173 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [1,1,0,0,0,0|1,1,0]=4 58 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [1,1,0,0,0,0|1,1,0]=4 59 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.4 CCOCC(=O)O D73862 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.7 N=C(N)S(=O)(=O)O C71584 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.8 CCS(=O)(=O)CCl 72654 [1,1,0,0,0,0|1,0,0]=3 63 B6R0.8 CNS(=O)(=O)NC D93445 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.21 C=CCCCS(=O)(=O)Cl AC6449 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.21 C=CCCCS(N)(=O)=O C77524 [0,2,0,0,0,0|2,0,0]=4 66 B8R0.21 CCCCCS(N)(=O)=O P18656 [0,2,0,0,0,0|2,0,0]=4 67 B8R0.21 CS(=O)(=O)OCCC#N 74560 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.21 CS(=O)(=O)SCCC#N C13302 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.21 O=S(=O)(Cl)NCCCCl AC6112 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.24 CC[C@H](C)OS(C)(=O)=O 38073 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.24 O=S(=O)([O-])C[C@@H](S)CS H10946 [0,2,0,0,0,0|0,0,1]=3 72 B8R0.24 O=S(=O)([O-])C[C@@H](S)CS H10963 [0,2,0,0,0,0|0,0,1]=3 73 B8R0.29 CC(C)COS(C)(=O)=O A12119 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.29 O=C([O-])CCS(=O)(=O)[O-] AB22830 [0,2,0,0,0,0|0,1,1]=4 75 B8R0.33 CS(=O)(=O)CS(=O)(=O)O W17216 [0,2,0,0,0,0|1,1,0]=4 76 B8R0.12 CN(C)S(=O)(=O)CCN 60089 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.12 CN(C)S(=O)(=O)CCO 34955 [0,2,0,0,0,0|1,1,0]=4 78 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,1,0,0|2,0,0]=4 79 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,1,0,0|2,0,0]=4 80 B6R1.10 O=S1(=O)CCN1 AT12682 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.51 C[C@H]1CCS(=O)(=O)O1 E70444 [0,1,0,1,0,0|1,0,0]=3 82 B8R1.51 C[C@H]1COS(=O)(=O)O1 Y11245 [0,1,0,1,0,0|1,0,0]=3 83 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12856 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.51 O=S1(=O)CC[C@H](O)C1 F14685 [0,1,0,1,0,0|1,1,0]=4 85 B8R1.53 O=S1(=O)CC(CO)C1 AT13053 [0,1,0,1,0,0|1,1,0]=4 86 B8R1.55 CS(=O)(=O)C1CNC1 P11224 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.55 NS(=O)(=O)C1CCC1 C77469 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.55 NS(=O)(=O)N1CCC1 C76047 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.55 O=S(=O)(Cl)C1CCC1 84646 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.55 O=S(=O)(Cl)C1COC1 C90181 [0,1,0,1,0,0|1,1,0]=4 91 B8R1.56 NS(=O)(=O)CC1CC1 I11291 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.72 O=S1(=O)CCOCN1 91996 [0,1,0,1,0,0|1,1,0]=4 93 B8R1.70 CC1(S(=O)(=O)Cl)CC1 68609 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.70 CC1(S(=O)(=O)[O-])CC1 60161 [0,1,0,1,0,0|1,0,1]=4