0 B8R0.24 CCC(C)CS(=O)(=O)N Z954606746 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.24 CCC(N)CS(=O)(=O)C Z3015223301 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.24 CNC(C)CS(=O)(=O)C Z991513554 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.24 COC(C)CS(=O)(=O)N Z1646055840 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.24 CS(=O)(=O)CC(O)CN Z2894584124 [0,0,0,0,0,0|2,1,0]=3 5 B8R0.24 O=S(=O)(O)CC(O)CO Z1896291473 [0,0,0,0,0,0|0,2,0]=2 6 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.2 NCC(O)CC(=O)O Z1255390571 [1,0,0,0,0,0|2,1,0]=4 10 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [1,0,0,0,0,0|2,1,0]=4 11 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [1,0,0,0,0,0|2,1,0]=4 12 B7R0.8 C#CCCS(=O)(=O)N Z1180069291 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.8 CCCCS(=O)(=O)N Z55264566 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.8 CNCCS(=O)(=O)C Z235580952 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.8 CNCCS(=O)(=O)N Z2312320082 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.8 COCCS(=O)(=O)N Z425361010 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.8 CS(=O)(=O)CCC#N Z608063222 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.8 CS(=O)(=O)CCCN Z752370998 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [1,0,0,0,0,0|1,1,0]=3 21 B7R0.8 CS(=O)(=O)NCCN Z285224518 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.8 CS(=O)(=O)NCCO Z57801016 [1,0,0,0,0,0|2,1,0]=4 23 B7R0.8 N#CCCS(=O)(=O)N Z734460668 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.8 NCCCS(=O)(=O)N Z744592958 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.8 NCCNS(=O)(=O)N Z3487421172 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [1,0,0,0,0,0|1,1,0]=3 28 B7R0.9 CC(C)CS(=O)(=O)N Z734461478 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.9 CC(C)NS(=O)(=O)C Z53825073 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.9 CC(N)CS(=O)(=O)C Z1267881687 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [1,0,0,0,0,0|1,1,0]=3 32 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [1,0,0,0,0,0|0,1,1]=3 33 B9R0.25 CCC(C)C(C)S(=O)(=O)N Z954606834 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.30 CC(C)(CN)CS(=O)(=O)C Z1509410536 [0,1,0,0,0,0|3,0,0]=4 35 B9R0.30 CCC(C)(C)CS(=O)(=O)N Z1622956205 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.44 CCCC(C)CS(=O)(=O)N Z954606808 [0,1,0,0,0,0|3,0,0]=4 37 B9R0.44 CCNC(C)CS(=O)(=O)C Z991513716 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.52 CCC(CC)CS(=O)(=O)N Z954606450 [0,1,0,0,0,0|3,0,0]=4 39 B9R0.52 COC(CN)CS(=O)(=O)C Z5608278757 [0,1,0,0,0,0|2,1,0]=4 40 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,0,0|1,1,1]=4 41 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,1,0,0,0,0|0,2,1]=4 42 B9R1.36 C[C@@H]1CS(=O)(=O)C[C@H]1N Z2096659040 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.36 NC1CS(=O)(=O)CC1Cl Z57032763 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.36 N[C@@H]1CS(=O)(=O)C[C@H]1O Z2306829280 [0,0,0,1,0,0|2,1,0]=4 45 B9R1.36 O=S1(=O)CC(C(C1)Cl)Cl Z56872217 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.36 O=S1(=O)C[C@@H]([C@H](C1)O)O Z1255375506 [0,0,0,1,0,0|1,2,0]=4 47 B9R1.36 O=S1(=O)C[C@H]([C@H](C1)O)O Z1198151386 [0,0,0,1,0,0|1,2,0]=4 48 B9R1.47 CC1CC1CS(=O)(=O)F Z3016191324 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.66 NC1CCCS(=O)(=O)C1 Z1266933919 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.66 O=S1(=O)CCCC(C1)O Z1172097926 [0,0,0,1,0,0|2,1,0]=4 51 B9R1.114 NS(=O)(=O)CC1CCC1 Z1255498608 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.114 NS(=O)(=O)CC1CCN1 Z5211336484 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.114 NS(=O)(=O)CC1CNC1 Z4362577524 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.114 O=S(=O)(F)CC1CNC1 Z2526714742 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.133 NCC1CCS(=O)(=O)C1 Z324552950 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.133 O=S1(=O)CCC(C1)CO Z57161971 [0,0,0,1,0,0|2,1,0]=4 57 B9R1.145 CC1(CC1)CS(=O)(=O)F Z2907441047 [0,0,0,1,0,0|3,0,0]=4 58 B7R0.14 CC(CN)S(=O)(=O)C Z2588063744 [0,0,0,0,1,0|3,0,0]=4 59 B9R0.21 CCC(N)CNS(=O)(=O)C Z2235330301 [0,0,0,0,0,1|3,0,0]=4 60 B6R0.2 CC(C)CC(=O)O Z104474910 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.2 CC(N)CC(=O)O Z147647144 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 NCCCC(=O)O Z104475620 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 NCCCS(=O)O Z1203579399 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 O=C(O)CCCS Z147642510 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.5 CCNS(=O)(=O)C Z53825320 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.5 CCOS(=O)(=O)N Z2751120716 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.5 CS(=O)(=O)CCN Z265638750 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.5 NCCS(=O)(=O)N Z432066942 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.5 NCCS(=O)(=O)O Z248489432 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.5 NS(=O)(=O)CCO Z1267897807 [2,0,0,0,0,0|1,1,0]=4 73 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.5 O=S(=O)([O-])CCS Z594284202 [2,0,0,0,0,0|0,0,1]=3 75 B8R0.14 CCCC(C)S(=O)(=O)N Z954606570 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.21 C#CCCCS(=O)(=O)N Z1642345677 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.21 C=CCCCS(=O)(=O)N Z1217214778 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.21 CCCCCS(=O)(=O)N Z734461490 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.21 CCNCCS(=O)(=O)C Z235582846 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.21 CCOCCS(=O)(=O)N Z425361008 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.21 CNCCCS(=O)(=O)C Z728931320 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.21 COCCCS(=O)(=O)N Z734461458 [1,1,0,0,0,0|1,1,0]=4 83 B8R0.21 CS(=O)(=O)CCCCN Z2379802695 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.21 CS(=O)(=O)NCCCBr Z381005206 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.21 CS(=O)(=O)NCCCN Z295405382 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.21 CS(=O)(=O)NCCCO Z57801017 [1,1,0,0,0,0|1,1,0]=4 87 B8R0.21 NCCCCS(=O)(=O)N Z2216303047 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [1,1,0,0,0,0|1,0,0]=3 89 B8R0.21 NCCCNS(=O)(=O)N Z3410788631 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.25 CCCCS(=O)(=O)NC Z55258068 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.25 CCS(=O)(=O)CCCN Z2310679163 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.25 CNS(=O)(=O)CCCN Z2731710906 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.29 CC(C)CCS(=O)(=O)N Z734461454 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.29 CC(N)CCS(=O)(=O)C Z992990700 [1,1,0,0,0,0|2,0,0]=4 95 B8R0.27 CC(N)C(C)S(=O)(=O)C Z1696822775 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.33 CC(C)(C)CS(=O)(=O)N Z954606228 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.33 CC(C)(N)CS(=O)(=O)C Z1262643909 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.51 CC1CNS(=O)(=O)C1 Z1575095016 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.51 NC1CCS(=O)(=O)C1 Z56998603 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.51 O=S1(=O)CCC(C1)O Z57161902 [1,0,0,1,0,0|1,1,0]=4 101 B8R1.21 CC1CC1S(=O)(=O)N Z2418729163 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.55 NS(=O)(=O)C1CCC1 Z1255426083 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.56 NS(=O)(=O)CC1CC1 Z734461550 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [1,0,0,1,0,0|2,0,0]=4 105 B6R0.3 NC(CS)C(=O)O Z966690626 [1,0,0,0,1,0|2,0,0]=4 106 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [1,0,0,0,1,0|2,0,0]=4 107 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [1,0,0,0,1,0|2,0,0]=4 108 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [1,0,0,0,1,0|0,1,1]=4