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|3,0,0]=3 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|1,0,0]=1 9 B6R0.5 NCCC(F)(F)F CDS002538 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.5 NCCC(F)(F)F CDS011723 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.5 O=S(=O)(Cl)CCBr PH016099 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.5 O=S(=O)([O-])CCO CDS003508 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CC(O)CNN CBR01627 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.4 CC(C)(O)CN CDS007515 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.4 CCS(=O)(=O)[S-] S47822 [1,0,0,0,0,0|0,1,0]=2 19 B5R0.4 CNS(=O)(=O)Cl CDS007250 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.4 O=S(=O)([O-])CBr S613940 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.8 CNCCC(C)(C)O CBR00149 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.8 CNCCS(=O)(=O)C CDS005459 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.8 COCCS(=O)(=O)Cl CDS008347 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.8 CS(=O)(=O)CCCN T160539 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.8 O=S(=O)([O-])CCCCl S986429 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.8 O=S(=O)([O-])CCCCl T109665 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.8 O=S(=O)([O-])CCCI S568341 [0,1,0,0,0,0|1,0,1]=3 28 B7R0.9 CC(C)CS(=O)(=O)[S-] S64026 [0,1,0,0,0,0|1,1,0]=3 29 B7R0.9 CC(C)NS(=O)(=O)C PH007925 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.9 CC(C)NS(=O)(=O)Cl CDS007305 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.9 CC(C)NS(=O)(=O)O PH009579 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.9 CS(=O)(=O)CC(=O)N S614475 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.9 CS(=O)(=O)CC(=O)O CDS014245 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.9 NS(=O)(=O)CC(=O)O CDS012767 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.9 O=C(O)CS(=O)(=O)O S576611 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.11 CCS(=O)(=O)CCCl CDS011744 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.11 CCS(=O)(=O)CCN CBR00923 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.11 CCS(=O)(=O)CCO PH010969 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.11 COC(C)(C)CCN CBR01630 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.14 CCC(C)S(=O)(=O)Cl CDS003418 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.14 CCC(N)P(=O)(O)O R426547 [0,1,0,0,0,0|2,0,1]=4 42 B7R1.14 O=S1(=O)C=CCC1 SYX00239 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.14 O=S1(=O)CCNC1 CDS008503 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.16 O=S1(=O)CC(C1)Cl SYX00116 [0,0,0,1,0,0|2,0,0]=3 45 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 CCB(O)O CDS003542 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.2 C=CCCN CDS021978 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.2 N#CCCN CDS007521 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.2 NCCCF CDS007794 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.2 OCCCF CDS002969 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.2 SCCCN OTV000791 [2,0,0,0,0,0|1,1,0]=4 54 B4R0.3 NS(=O)(=O)[O-] S828300 [2,0,0,0,0,0|0,0,1]=3 55 B4R0.3 O=S(=O)(O)O R278998 [2,0,0,0,0,0|1,0,0]=3 56 B4R0.3 O=S(=O)([O-])[O-] CDS004010 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.3 O=S(=O)([O-])[O-] S461083 [2,0,0,0,0,0|1,0,1]=4 58 B4R0.3 O=S(=O)([O-])[O-] S461768 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.1 CC(CO)CCN CDS000171 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.1 C[C@@H](CO)CCN CDS000036 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.2 NC(=O)CC(=O)O S937436 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.3 CC(CN)C(=O)O CDS014136 [1,1,0,0,0,0|1,0,0]=3 65 B6R0.3 CC(CS)C(=O)O CDS000283 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.3 CCC(O)C(=O)O CDS000492 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.3 NCC(N)C(=O)O R278769 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.4 N#CCCC(=O)O CDS009069 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.7 CC(N)P(=O)(O)O R425923 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.7 CN(C)S(=O)(=O)C S616672 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.14 CCCC(C)S(=O)(=O)Cl CDS005988 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.21 CCCCCS(=O)(=O)O PH018433 [0,2,0,0,0,0|1,0,0]=3 75 B8R0.21 CCCCNS(=O)(=O)N PH009039 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.21 CCCCNS(=O)(=O)O R159344 [0,2,0,0,0,0|1,0,0]=3 77 B8R0.21 CCCCOS(=O)(=O)C CDS014297 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.21 COCCCS(=O)(=O)Cl CDS020346 [0,2,0,0,0,0|2,0,0]=4 79 B8R0.21 CS(=O)(=O)CCCNN PH018709 [0,2,0,0,0,0|1,0,0]=3 80 B8R0.21 N#CCCCS(=O)(=O)[O-] S642215 [0,2,0,0,0,0|0,0,2]=4 81 B8R0.21 NCCCSS(=O)(=O)O PH007641 [0,2,0,0,0,0|0,0,0]=2 82 B8R0.21 O=S(=O)([O-])CCCCBr S554480 [0,2,0,0,0,0|1,0,1]=4 83 B8R0.21 O=S(=O)([O-])CCCCCl S938319 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.21 O=S(=O)([O-])OCCCI S604070 [0,2,0,0,0,0|1,0,1]=4 85 B8R0.24 O=S(=O)([O-])CC(O)CCl CDS010535 [0,2,0,0,0,0|1,0,1]=4 86 B8R0.25 CCCCS(=O)(=O)CC S775738 [0,2,0,0,0,0|2,0,0]=4 87 B8R0.29 CC(C)CCS(=O)(=O)Cl CDS011771 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.29 CC(C)CCS(=O)(=O)O PH016300 [0,2,0,0,0,0|1,0,0]=3 89 B8R0.29 NS(=O)(=O)CCC(=O)O CDS023249 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.33 CC(C)(C)CS(=O)(=O)Cl CDS023332 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.12 CC(C)S(=O)(=O)CCN CBR01556 [0,2,0,0,0,0|1,0,0]=3 92 B8R0.12 CN(C)S(=O)(=O)CCN CBR00871 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.30 CCCS(=O)(=O)CCCl R397296 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.30 O=S(=O)(CCBr)CCBr S367044 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.30 O=S(=O)(CCO)CCO S222836 [0,2,0,0,0,0|1,0,0]=3 96 B8R0.17 CC(C)(CCl)S(=O)(=O)O T165670 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.26 CCC(C#N)S(=O)(=O)Cl CDS024103 [0,2,0,0,0,0|2,0,0]=4 98 B6R1.2 O[C@H]1CCNC1 CDS003495 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.5 NC1CC(C1)O CDS022886 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.10 O=S1(=O)CCC1 S620734 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.51 CC1=CS(=O)(=O)CC1 S948608 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.51 NC1C=CS(=O)(=O)C1 CBR00934 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.51 NC1CCS(=O)(=O)C1 PH009969 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.51 NC1CCS(=O)(=O)C1 S172014 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.51 O=S1(=O)C=CC(C1)Cl CBR01142 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.56 O=S(=O)(Cl)CC1CC1 CDS020474 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.19 CC1CCCS1(=O)=O S566659 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.19 CN1CCCS1(=O)=O CDS023411 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.19 CN1CCOS1(=O)=O SYX00442 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.70 CC1(CC1)S(=O)(=O)Cl SYX00243 [0,1,0,1,0,0|2,0,0]=4