0 B6R0.5 C=CCS(=O)(=O)Cl CDS002116 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 C=CCS(=O)(=O)O PH008546 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.5 C=CCS(=O)(=O)[O-] CDS010541 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.5 CC(C)(O)CCCl CDS019086 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.5 CC(C)(O)CCN CDS019270 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.5 CCCS(=O)(=O)[S-] S47857 [0,0,0,0,0,0|1,1,0]=2 6 B6R0.5 CCNS(=O)(=O)Cl CDS007313 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.5 CCNS(=O)(=O)[O-] R464244 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.5 CS(=O)(=O)CCN CDS005167 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.5 O=S(=O)(Cl)CCBr PH016099 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.5 O=S(=O)([O-])CCO CDS003508 [0,0,0,0,0,0|0,1,1]=2 11 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.4 CCS(=O)(=O)[S-] S47822 [1,0,0,0,0,0|0,1,0]=2 15 B5R0.4 CNS(=O)(=O)Cl CDS007250 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.4 O=S(=O)([O-])CBr S613940 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.8 CNCCS(=O)(=O)C CDS005459 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.8 COCCS(=O)(=O)Cl CDS008347 [0,1,0,0,0,0|1,1,0]=3 19 B7R0.8 CS(=O)(=O)CCCN T160539 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.8 O=S(=O)([O-])CCCCl S986429 [0,1,0,0,0,0|1,0,1]=3 21 B7R0.8 O=S(=O)([O-])CCCCl T109665 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.8 O=S(=O)([O-])CCCI S568341 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.9 CC(C)CS(=O)(=O)[S-] S64026 [0,1,0,0,0,0|1,1,0]=3 24 B7R0.9 CC(C)NS(=O)(=O)C PH007925 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.9 CC(C)NS(=O)(=O)Cl CDS007305 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.9 CC(C)NS(=O)(=O)O PH009579 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.9 CS(=O)(=O)CC(=O)N S614475 [0,1,0,0,0,0|1,1,1]=4 28 B7R0.9 CS(=O)(=O)CC(=O)O CDS014245 [0,1,0,0,0,0|1,1,1]=4 29 B7R0.9 NS(=O)(=O)CC(=O)O CDS012767 [0,1,0,0,0,0|1,1,1]=4 30 B7R0.9 O=C(O)CS(=O)(=O)O S576611 [0,1,0,0,0,0|0,1,1]=3 31 B7R0.11 CCS(=O)(=O)CCCl CDS011744 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.11 CCS(=O)(=O)CCN CBR00923 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.11 CCS(=O)(=O)CCO PH010969 [0,1,0,0,0,0|1,1,0]=3 34 B7R0.14 CCC(C)S(=O)(=O)Cl CDS003418 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.14 CCC(N)P(=O)(O)O R426547 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.14 O=S1(=O)C=CCC1 SYX00239 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.14 O=S1(=O)CCNC1 CDS008503 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.16 O=S1(=O)CC(C1)Cl SYX00116 [0,0,0,1,0,0|2,0,0]=3 39 B4R0.1 CCB(O)O CDS003542 [2,0,0,0,0,0|1,0,1]=4 40 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|1,0,1]=4 41 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|1,0,0]=3 42 B4R0.2 N#CCCS OTV000794 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.2 OCCCF CDS002969 [2,0,0,0,0,0|2,0,0]=4 44 B4R0.2 SCCCN OTV000791 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.3 NS(=O)(=O)[O-] S828300 [2,0,0,0,0,0|1,0,1]=4 46 B4R0.3 O=S(=O)(O)O R278998 [2,0,0,0,0,0|0,1,0]=3 47 B4R0.3 O=S(=O)([O-])[O-] CDS004010 [2,0,0,0,0,0|0,1,1]=4 48 B4R0.3 O=S(=O)([O-])[O-] S461083 [2,0,0,0,0,0|0,1,1]=4 49 B4R0.3 O=S(=O)([O-])[O-] S461768 [2,0,0,0,0,0|0,1,1]=4 50 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.3 CC(CN)C(=O)O CDS014136 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.3 CC(CS)C(=O)O CDS000283 [1,1,0,0,0,0|1,0,0]=3 54 B6R0.3 CCC(O)C(=O)O CDS000492 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.3 NCC(N)C(=O)O R278769 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.4 CC(=O)OCCS S363049 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.4 CSCCC(=O)Cl CDS000414 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.4 N#CCCC(=O)O CDS009069 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|1,0,0]=3 61 B6R0.7 CC(N)P(=O)(O)O R425923 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.7 CN(C)S(=O)(=O)C S616672 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.14 CCCC(C)S(=O)(=O)Cl CDS005988 [0,2,0,0,0,0|2,0,0]=4 64 B8R0.21 CCCCCS(=O)(=O)O PH018433 [0,2,0,0,0,0|1,0,0]=3 65 B8R0.21 CCCCNS(=O)(=O)N PH009039 [0,2,0,0,0,0|2,0,0]=4 66 B8R0.21 CCCCNS(=O)(=O)O R159344 [0,2,0,0,0,0|1,0,0]=3 67 B8R0.21 CCCCOS(=O)(=O)C CDS014297 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.21 COCCCS(=O)(=O)Cl CDS020346 [0,2,0,0,0,0|1,1,0]=4 69 B8R0.21 CS(=O)(=O)CCCNN PH018709 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.21 N#CCCCS(=O)(=O)[O-] S642215 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.21 NCCCSS(=O)(=O)O PH007641 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.21 O=S(=O)([O-])CCCCBr S554480 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.21 O=S(=O)([O-])CCCCCl S938319 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.21 O=S(=O)([O-])OCCCI S604070 [0,2,0,0,0,0|1,0,1]=4 75 B8R0.24 O=S(=O)([O-])CC(O)CCl CDS010535 [0,2,0,0,0,0|0,1,1]=4 76 B8R0.25 CCCCS(=O)(=O)CC S775738 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.29 CC(C)CCS(=O)(=O)Cl CDS011771 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.29 CC(C)CCS(=O)(=O)O PH016300 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.29 NS(=O)(=O)CCC(=O)O CDS023249 [0,2,0,0,0,0|1,1,0]=4 80 B8R0.33 CC(C)(C)CS(=O)(=O)Cl CDS023332 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.12 CC(C)S(=O)(=O)CCN CBR01556 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.12 CN(C)S(=O)(=O)CCN CBR00871 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.30 CCCS(=O)(=O)CCCl R397296 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.30 O=S(=O)(CCBr)CCBr S367044 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.30 O=S(=O)(CCO)CCO S222836 [0,2,0,0,0,0|0,1,0]=3 86 B8R0.17 CC(C)(CCl)S(=O)(=O)O T165670 [0,2,0,0,0,0|1,0,0]=3 87 B8R0.26 CCC(C#N)S(=O)(=O)Cl CDS024103 [0,2,0,0,0,0|2,0,0]=4 88 B6R1.10 O=S1(=O)CCC1 S620734 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.51 CC1=CS(=O)(=O)CC1 S948608 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.51 NC1C=CS(=O)(=O)C1 CBR00934 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.51 NC1CCS(=O)(=O)C1 PH009969 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.51 NC1CCS(=O)(=O)C1 S172014 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.51 O=S1(=O)C=CC(C1)Cl CBR01142 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.56 O=S(=O)(Cl)CC1CC1 CDS020474 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.19 CC1CCCS1(=O)=O S566659 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.19 CN1CCCS1(=O)=O CDS023411 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.19 CN1CCOS1(=O)=O SYX00442 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.70 CC1(CC1)S(=O)(=O)Cl SYX00243 [0,1,0,1,0,0|2,0,0]=4