0 B13R0.1402 CS(=O)(=O)OCC#CCOS(C)(=O)=O Amb25284951 [0,0,0,0,0,0|0,0,2]=2 1 B13R0.1402 CS(=O)(=O)OCCCCOS(C)(=O)=O Amb3940921 [0,0,0,0,0,0|0,0,0]=0 2 B13R0.1402 CS(=O)(=O)OCCCCO[S+](C)(=O)[O-] Amb6296628 [0,0,0,0,0,0|0,0,2]=2 3 B13R0.1402 CS(=O)(=O)OC\C=C/COS(C)(=O)=O Amb22831579 [0,0,0,0,0,0|0,0,2]=2 4 B13R0.1402 CS(=O)(=O)OC\C=C\COS(C)(=O)=O Amb25976837 [0,0,0,0,0,0|0,0,2]=2 5 B12R0.137 CS(=O)OCCCCOS(C)(=O)=O Amb26919449 [1,0,0,0,0,0|0,0,1]=2 6 B14R0.5678 CS(=O)(=O)OCC[C@H](O)COS(C)(=O)=O Amb27629066 [0,1,0,0,0,0|0,0,0]=1 7 B12R0.638 CS(=O)(=O)NCCCNS(C)(=O)=O Amb11231730 [0,0,0,0,1,0|2,0,0]=3 8 B12R0.638 CS(=O)(=O)OCCCOS(C)(=O)=O Amb4409882 [0,0,0,0,1,0|0,0,0]=1 9 B12R0.638 CS(=O)(=O)SCCCCS(=O)(=O)[O-] Amb17620120 [0,0,0,0,1,0|1,1,0]=3 10 B12R0.638 NS(=O)(=O)CCCCCS(=O)(=O)Cl Amb32671109 [0,0,0,0,1,0|3,0,0]=4 11 B12R0.638 NS(=O)(=O)CCCCCS(=O)(=O)F Amb32719085 [0,0,0,0,1,0|3,0,0]=4 12 B12R0.638 O=S(=O)(Cl)CCCCCS(=O)(=O)Cl Amb32409830 [0,0,0,0,1,0|3,0,0]=4 13 B14R0.3010 CS(=O)(=O)OCCCCCOS(C)(=O)=O Amb10575114 [0,0,0,0,0,1|0,0,0]=1 14 B14R0.3010 CS(=O)(=O)OCCOCCOS(C)(=O)=O Amb17612782 [0,0,0,0,0,1|0,0,0]=1 15 B11R0.159 CCCCCCCOS(C)(=O)=O Amb28286190 [2,0,0,0,0,0|2,0,0]=4 16 B13R0.2444 CS(=O)(=O)OCC(O)COS(C)(=O)=O Amb27953136 [0,1,0,0,1,0|0,0,0]=2 17 B15R0.6057 CC(CCC(C)OS(C)(=O)=O)OS(C)(=O)=O Amb26390874 [0,2,0,0,0,0|0,0,0]=2 18 B15R0.6058 CS(=O)(=O)OC[C@@H](O)[C@H](O)COS(C)(=O)=O Amb25745485 [0,2,0,0,0,0|0,0,0]=2 19 B15R0.6058 CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O Amb25746130 [0,2,0,0,0,0|0,0,0]=2 20 B15R0.12102 CC(C)(CCOS(C)(=O)=O)COS(C)(=O)=O Amb27876979 [0,2,0,0,0,0|0,0,0]=2 21 B13R1.1035 CC(=O)OCC1CCCS(=O)(=O)C1 Amb28291791 [1,0,0,1,0,0|2,0,0]=4 22 B13R1.2908 CS(=O)(=O)C1CCCC1S(=O)(=O)Cl Amb25847249 [0,0,0,1,1,0|2,0,0]=4 23 B13R1.2908 CS(=O)(=O)C1CCCC1S(=O)(=O)F Amb33352764 [0,0,0,1,1,0|2,0,0]=4 24 B13R1.2908 CS(=O)(=O)C1CCCC1S(N)(=O)=O Amb26354430 [0,0,0,1,1,0|2,0,0]=4 25 B13R1.7713 CS(=N)(=O)NCC1CCS(=O)(=O)C1 Amb30019712 [0,0,0,1,1,0|2,0,0]=4 26 B13R1.7713 CS(=O)(=O)NCC1CCS(=O)(=O)C1 Amb13850322 [0,0,0,1,1,0|1,0,0]=3 27 B13R1.7713 NS(=O)(=O)CCC1CCS(=O)(=O)C1 Amb25983043 [0,0,0,1,1,0|2,0,0]=4 28 B13R1.7713 NS(=O)(=O)NCC1CCS(=O)(=O)C1 Amb27448318 [0,0,0,1,1,0|2,0,0]=4 29 B13R1.7713 NS(=O)(=O)OCC1CCS(=O)(=O)C1 Amb33480360 [0,0,0,1,1,0|1,0,0]=3 30 B13R1.7713 O=S(=O)(Cl)CCC1CCS(=O)(=O)C1 Amb17063306 [0,0,0,1,1,0|2,0,0]=4 31 B13R1.7713 O=S(=O)(F)CCC1CCS(=O)(=O)C1 Amb33076712 [0,0,0,1,1,0|2,0,0]=4 32 B13R1.7983 CS(=N)(=O)NC1CCCS(=O)(=O)C1 Amb35680606 [0,0,0,1,1,0|2,0,0]=4 33 B13R1.7983 NS(=O)(=O)CC1CCCS(=O)(=O)C1 Amb33502723 [0,0,0,1,1,0|2,0,0]=4 34 B13R1.7983 O=S(=O)(Cl)CC1CCCS(=O)(=O)C1 Amb26574122 [0,0,0,1,1,0|2,0,0]=4 35 B13R1.7983 O=S(=O)(F)CC1CCCS(=O)(=O)C1 Amb32717880 [0,0,0,1,1,0|2,0,0]=4 36 B15R1.16631 CS(=O)(=O)O[C@@H]1CCC[C@H]1OS(C)(=O)=O Amb24631105 [0,0,0,1,0,1|0,0,0]=2 37 B15R1.23266 CS(=O)(=O)OC1CCCC(S(C)(=O)=O)C1 Amb20622797 [0,1,0,1,0,0|1,0,0]=3 38 B11R0.199 CS(=O)(=O)CCCCS(=O)(=O)Cl Amb32679273 [0,0,0,0,2,0|1,0,0]=3 39 B11R0.199 CS(=O)(=O)CCCCS(=O)(=O)F Amb32719203 [0,0,0,0,2,0|1,0,0]=3 40 B11R0.199 CS(=O)(=O)CCCCS(N)(=O)=O Amb32680400 [0,0,0,0,2,0|1,0,0]=3 41 B11R0.199 CS(=O)(=O)CCCOS(C)(=O)=O Amb21964633 [0,0,0,0,2,0|0,0,0]=2 42 B11R0.199 CS(=O)(=O)NCCNS(C)(=O)=O Amb11231631 [0,0,0,0,2,0|2,0,0]=4 43 B11R0.199 CS(=O)(=O)OCCOS(C)(=O)=O Amb22832009 [0,0,0,0,2,0|0,0,0]=2 44 B11R0.199 NS(=O)(=O)CCCCS(=O)(=O)Cl Amb32660582 [0,0,0,0,2,0|2,0,0]=4 45 B11R0.199 NS(=O)(=O)CCCCS(=O)(=O)F Amb32719100 [0,0,0,0,2,0|2,0,0]=4 46 B11R0.199 O=S(=O)(Cl)CCCCS(=O)(=O)Cl Amb10552423 [0,0,0,0,2,0|2,0,0]=4 47 B11R0.199 O=S(=O)(F)CCCCS(=O)(=O)Cl Amb32661275 [0,0,0,0,2,0|2,0,0]=4 48 B11R0.199 O=S(=O)(F)CCCCS(=O)(=O)F Amb32718005 [0,0,0,0,2,0|2,0,0]=4 49 B11R0.199 O=S(=O)(O)CCCCS(=O)(=O)O Amb22233688 [0,0,0,0,2,0|2,0,0]=4 50 B11R0.199 O=S(=O)([O-])CCCCS(=O)(=O)[O-] Amb22002680 [0,0,0,0,2,0|2,0,0]=4 51 B15R0.7561 CS(=O)(=O)NCCCCCCNS(C)(=O)=O Amb2651252 [0,0,0,0,0,2|2,0,0]=4 52 B15R0.7561 CS(=O)(=O)OCCCCCCOS(C)(=O)=O Amb4288208 [0,0,0,0,0,2|0,0,0]=2