0 B10R0.15 CC(=O)NCCCS(=O)(=O)N MCULE-5634848792 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.15 CC(=O)NCCCS(=O)(=O)O MCULE-7054277430 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.15 CC(=O)OCCCS(=O)(=O)Cl MCULE-8171079499 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.15 CS(=O)(=O)NCCCC(=O)O MCULE-9615507449 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.15 N=C(N)SCCCS(=O)(=O)O MCULE-4264729352 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.15 NC(=O)CCCSS(=O)(=O)[O-] MCULE-5074878484 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.15 NC(=O)CCCSS(=O)(=O)[O-] MCULE-8709790418 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.15 NC(=O)CNCCS(=O)(=O)O MCULE-4191456438 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.15 NC(=O)CNCCS(=O)(=O)[O-] MCULE-7255786748 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.15 NS(=O)(=O)NCCCC(=O)O MCULE-4104736072 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.15 O=C(O)CCCCP(=O)(O)O MCULE-9230270330 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.38 C=CCCCCS(=O)(=O)N MCULE-6361841607 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.38 CCCCCCS(=O)(=O)Cl MCULE-5853699428 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.38 CCCCCCS(=O)(=O)O MCULE-4883139983 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.38 CCCCCCS(=O)(=O)[O-] MCULE-4087141650 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.38 CCOCCCS(=O)(=O)N MCULE-9232520950 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.38 COCCCCS(=O)(=O)Cl MCULE-8368773920 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.38 COCCCCS(=O)(=O)N MCULE-1695820650 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.38 NCCCCCS(=O)(=O)O MCULE-7296557430 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [1,0,0,0,0,0|3,0,0]=4 20 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [1,0,0,0,0,0|3,0,0]=4 21 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [1,0,0,0,0,0|2,0,0]=3 23 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [1,0,0,0,0,0|3,0,0]=4 24 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [1,0,0,0,0,0|1,0,0]=2 25 B9R0.55 CC(=O)NCCCN(C)C MCULE-9928212719 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.55 CC(=O)NCCNC(=O)C MCULE-2725935578 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.55 CC(=O)NCCSC(=O)C MCULE-4148813739 [1,0,0,0,0,0|3,0,0]=4 28 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [1,0,0,0,0,0|3,0,0]=4 33 B9R0.55 N=C(N)NCCOS(=O)=O MCULE-6628403362 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [1,0,0,0,0,0|3,0,0]=4 35 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [1,0,0,0,0,0|2,0,0]=3 36 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [1,0,0,0,0,0|3,0,0]=4 37 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [1,0,0,0,0,0|3,0,0]=4 38 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [1,0,0,0,0,0|3,0,0]=4 43 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [1,0,0,0,0,0|3,0,0]=4 44 B11R0.114 C=CC(=O)OCCCS(=O)(=O)[O-] MCULE-3384837960 [0,1,0,0,0,0|1,0,2]=4 45 B11R0.114 C=CC(=O)OCCCS(=O)(=O)[O-] MCULE-7877590739 [0,1,0,0,0,0|1,0,2]=4 46 B11R0.114 COC(=O)CCCCS(=O)(=O)Cl MCULE-7437734055 [0,1,0,0,0,0|2,0,0]=3 47 B11R0.114 COC(=O)CCCCS(=O)(=O)[O-] MCULE-2085704087 [0,1,0,0,0,0|1,0,1]=3 48 B11R0.114 COC(=O)CCCCS(=O)(=O)[O-] MCULE-2843891121 [0,1,0,0,0,0|1,0,1]=3 49 B11R0.127 CCS(=O)(=O)CCCCC(=O)O MCULE-3501340985 [0,1,0,0,0,0|3,0,0]=4 50 B11R0.199 CS(=O)(=O)CCCCS(=O)(=O)N MCULE-1983930132 [0,1,0,0,0,0|3,0,0]=4 51 B11R0.199 CS(=O)(=O)CCCOS(=O)(=O)C MCULE-8795189942 [0,1,0,0,0,0|3,0,0]=4 52 B11R0.199 O=S(=O)(O)CCCCS(=O)(=O)O MCULE-7847577739 [0,1,0,0,0,0|3,0,0]=4 53 B11R0.318 C=C(C)C(=O)OCCS(=O)(=O)O MCULE-6319178019 [0,1,0,0,0,0|3,0,0]=4 54 B11R0.318 CC(=O)N(O)CCCP(=O)(O)O MCULE-1046565752 [0,1,0,0,0,0|1,0,1]=3 55 B11R0.318 CC(=O)N(O)CCCP(=O)([O-])O MCULE-3907251863 [0,1,0,0,0,0|1,0,1]=3 56 B11R0.318 CN(C)C(=O)CCCS(=O)(=O)O MCULE-7235460142 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.76 O=C1NCC(O1)CS(=O)(=O)Cl MCULE-2918460506 [0,0,0,1,0,0|2,0,0]=3 58 B11R1.155 CS(=O)(=O)C1CCCC(=O)C1 MCULE-1887285939 [0,0,0,1,0,0|2,0,0]=3 59 B11R1.155 CS(=O)(=O)N1CCCC(=O)C1 MCULE-3763537667 [0,0,0,1,0,0|3,0,0]=4 60 B11R1.155 CS(=O)(=O)N1CCNC(=O)C1 MCULE-6133170233 [0,0,0,1,0,0|2,0,0]=3 61 B11R1.155 NS(=O)(=O)N1CCNC(=O)C1 MCULE-8798697189 [0,0,0,1,0,0|2,0,0]=3 62 B11R1.710 CC(=O)NC1CCS(=O)(=O)C1 MCULE-1035203852 [0,0,0,1,0,0|1,0,0]=2 63 B11R1.710 CC(=O)OC1CCS(=O)(=O)C1 MCULE-6094814610 [0,0,0,1,0,0|2,0,0]=3 64 B11R1.710 CC(=O)SC1CCS(=O)(=O)C1 MCULE-9677067680 [0,0,0,1,0,0|2,0,0]=3 65 B11R1.710 CC(C)NC1CCS(=O)(=O)C1 MCULE-1626242247 [0,0,0,1,0,0|2,0,1]=4 66 B11R1.710 CC(C)NC1CCS(=O)(=O)C1 MCULE-6369344454 [0,0,0,1,0,0|2,0,1]=4 67 B11R1.710 CN(C)NC1CCS(=O)(=O)C1 MCULE-1922787915 [0,0,0,1,0,0|3,0,0]=4 68 B11R1.710 CN(C)NC1CCS(=O)(=O)C1 MCULE-4877109968 [0,0,0,1,0,0|3,0,0]=4 69 B11R1.710 NC(=O)NC1CCS(=O)(=O)C1 MCULE-1666089660 [0,0,0,1,0,0|2,0,0]=3 70 B11R1.710 NC(=S)NC1CCS(=O)(=O)C1 MCULE-1393955133 [0,0,0,1,0,0|2,1,0]=4 71 B11R1.710 O=C(Cl)OC1CCS(=O)(=O)C1 MCULE-5639426008 [0,0,0,1,0,0|3,0,0]=4 72 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 MCULE-3738522082 [0,0,0,1,0,0|3,0,0]=4 73 B11R1.710 O=C(O)CC1CCS(=O)(=O)N1 MCULE-2810155432 [0,0,0,1,0,0|3,0,0]=4 74 B11R1.710 O=S1(=O)CCC(C1)NC(=S)S MCULE-9977726218 [0,0,0,1,0,0|2,1,0]=4 75 B11R1.710 O=S1(=O)CCC(C1)NC(=S)[S-] MCULE-4313709368 [0,0,0,1,0,0|2,1,0]=4 76 B11R1.710 O=S1(=O)CCC(C1)NC(=S)[S-] MCULE-9441875716 [0,0,0,1,0,0|2,1,0]=4 77 B11R1.730 O=C(O)C1=CS(=O)(=O)CCC1 MCULE-2846162271 [0,0,0,1,0,0|3,0,0]=4 78 B11R1.730 O=C(O)C1CCCS(=O)(=O)C1 MCULE-2941931058 [0,0,0,1,0,0|3,0,0]=4 79 B9R0.56 CC(=N)OCCS(=O)(=O)O MCULE-2405838300 [0,0,0,0,1,0|2,0,0]=3 80 B9R0.56 CC(=O)NCCS(=O)(=O)N MCULE-7071799992 [0,0,0,0,1,0|1,0,0]=2 81 B9R0.56 CC(=O)NCCS(=O)(=O)O MCULE-4053951959 [0,0,0,0,1,0|0,0,0]=1 82 B9R0.56 CC(=O)OCCS(=O)(=O)Cl MCULE-8522441566 [0,0,0,0,1,0|2,0,0]=3 83 B9R0.56 CC(=O)SCCS(=O)(=O)O MCULE-4519705338 [0,0,0,0,1,0|1,0,0]=2 84 B9R0.56 CC(=O)SCCS(=O)(=O)[O-] MCULE-9143616669 [0,0,0,0,1,0|1,0,1]=3 85 B9R0.56 CC(C)CCCS(=O)(=O)Cl MCULE-3794104445 [0,0,0,0,1,0|2,0,1]=4 86 B9R0.56 CC(C)NCCS(=O)(=O)C MCULE-5980609002 [0,0,0,0,1,0|2,0,1]=4 87 B9R0.56 CN(C)CCCS(=O)(=O)Cl MCULE-4930457304 [0,0,0,0,1,0|3,0,0]=4 88 B9R0.56 CN(C)CCCS(=O)(=O)Cl MCULE-6815975610 [0,0,0,0,1,0|3,0,0]=4 89 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,0,0,0,1,0|2,0,0]=3 90 B9R0.56 CS(=O)(=O)CCOC(=O)Cl MCULE-7479796506 [0,0,0,0,1,0|3,0,0]=4 91 B9R0.56 CS(=O)(=O)NCCC(=O)O MCULE-7823027792 [0,0,0,0,1,0|3,0,0]=4 92 B9R0.56 CS(=O)(=O)SCCC(=O)N MCULE-9213338856 [0,0,0,0,1,0|3,0,0]=4 93 B9R0.56 N=C(N)NCCS(=O)(=O)O MCULE-8763764734 [0,0,0,0,1,0|2,0,0]=3 94 B9R0.56 N=C(N)SCCS(=O)(=O)O MCULE-4502346901 [0,0,0,0,1,0|3,0,0]=4 95 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [0,0,0,0,1,0|1,0,0]=2 96 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [0,0,0,0,1,0|2,0,0]=3 97 B9R0.56 NS(=O)(=O)NCCC(=O)O MCULE-7564527970 [0,0,0,0,1,0|3,0,0]=4 98 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [0,0,0,0,1,0|2,0,1]=4 99 B9R0.56 [NH2+]=C(C)OCCS(=O)(=O)[O-] MCULE-9135562076 [0,0,0,0,1,0|2,0,1]=4 100 B11R0.31 NS(=O)(=O)CCCCCC(=O)O MCULE-7600274441 [0,0,0,0,0,1|3,0,0]=4 101 B8R0.7 CC(=O)NCCCCN MCULE-6666803790 [2,0,0,0,0,0|2,0,0]=4 102 B8R0.7 CC(=O)NCCCCN MCULE-8971714473 [2,0,0,0,0,0|2,0,0]=4 103 B8R0.7 CC(=O)NCCCCO MCULE-5119895862 [2,0,0,0,0,0|1,0,0]=3 104 B8R0.7 CC(=O)OCCCCO MCULE-7064721476 [2,0,0,0,0,0|2,0,0]=4 105 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [2,0,0,0,0,0|2,0,0]=4 106 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [2,0,0,0,0,0|1,0,1]=4 107 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [2,0,0,0,0,0|1,0,1]=4 108 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [2,0,0,0,0,0|2,0,0]=4 110 B8R0.7 COCCCNC(=O)C MCULE-4149128250 [2,0,0,0,0,0|1,1,0]=4 111 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [2,0,0,0,0,0|2,0,0]=4 112 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [2,0,0,0,0,0|1,0,0]=3 113 B8R0.21 C=CCCCS(=O)(=O)Cl MCULE-5523963108 [2,0,0,0,0,0|1,0,1]=4 114 B8R0.21 C=CCCCS(=O)(=O)N MCULE-5103871040 [2,0,0,0,0,0|1,0,1]=4 115 B8R0.21 CCCCCS(=O)(=O)Cl MCULE-6896424187 [2,0,0,0,0,0|1,0,1]=4 116 B8R0.21 CCCCCS(=O)(=O)N MCULE-5002185424 [2,0,0,0,0,0|1,0,1]=4 117 B8R0.21 CCCCCS(=O)(=O)O MCULE-3941343492 [2,0,0,0,0,0|0,0,1]=3 118 B8R0.21 CCCCCS(=O)(=O)[O-] MCULE-8928036198 [2,0,0,0,0,0|0,0,2]=4 119 B8R0.21 CCCCNS(=O)(=O)O MCULE-9277142869 [2,0,0,0,0,0|1,0,1]=4 120 B8R0.21 CCNCCS(=O)(=O)C MCULE-2627541965 [2,0,0,0,0,0|1,0,1]=4 121 B8R0.21 CNCCNS(=O)(=O)C MCULE-5555636642 [2,0,0,0,0,0|2,0,0]=4 122 B8R0.21 CNCCNS(=O)(=O)C MCULE-6617648988 [2,0,0,0,0,0|2,0,0]=4 123 B8R0.21 CNCCOS(=O)(=O)C MCULE-7536697713 [2,0,0,0,0,0|2,0,0]=4 124 B8R0.21 CNCCOS(=O)(=O)C MCULE-7603920524 [2,0,0,0,0,0|2,0,0]=4 125 B8R0.21 COCCCS(=O)(=O)Cl MCULE-9737343489 [2,0,0,0,0,0|2,0,0]=4 126 B8R0.21 COCCCS(=O)(=O)F MCULE-3678578500 [2,0,0,0,0,0|2,0,0]=4 127 B8R0.21 COCCCS(=O)(=O)N MCULE-9219902024 [2,0,0,0,0,0|2,0,0]=4 128 B8R0.21 COCCCS(=O)(=O)O MCULE-2207949915 [2,0,0,0,0,0|1,0,0]=3 129 B8R0.21 N#CCCCS(=O)(=O)O MCULE-9766583831 [2,0,0,0,0,0|1,0,1]=4 130 B8R0.21 O=S(=O)(O)CCCCO MCULE-7293075600 [2,0,0,0,0,0|0,0,2]=4 131 B10R0.22 CCCCNCCS(=O)(=O)O MCULE-8200198538 [1,1,0,0,0,0|1,0,1]=4 132 B10R0.22 NCCCCCCS(=O)(=O)O MCULE-3506394412 [1,1,0,0,0,0|1,0,1]=4 133 B10R0.22 NCCNCCCS(=O)(=O)O MCULE-1519703013 [1,1,0,0,0,0|0,0,1]=3 134 B10R0.60 O=CN(O)CCCP(=O)(O)O MCULE-2546868747 [1,1,0,0,0,0|1,0,1]=4 135 B10R0.60 O=CN(O)CCCP(=O)([O-])O MCULE-1343930312 [1,1,0,0,0,0|1,0,1]=4 136 B10R0.55 C=CC(=O)NCCCC(=O)O MCULE-4876378657 [1,1,0,0,0,0|1,0,1]=4 137 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [1,1,0,0,0,0|2,0,0]=4 138 B10R0.55 CCC(=O)NCCCC(=O)O MCULE-4434353680 [1,1,0,0,0,0|1,0,0]=3 139 B10R0.55 CNC(=O)CCCCC(=O)O MCULE-3369426299 [1,1,0,0,0,0|2,0,0]=4 140 B10R0.55 COC(=O)CCCCC(=O)C MCULE-8144817566 [1,1,0,0,0,0|2,0,0]=4 141 B10R0.55 COC(=O)CCCCC(=O)O MCULE-2104484744 [1,1,0,0,0,0|2,0,0]=4 142 B10R0.55 COC(=O)CCCCN(=O)=O MCULE-6729844099 [1,1,0,0,0,0|2,0,0]=4 143 B10R0.55 COC(=O)NCCCC(=O)O MCULE-4986877538 [1,1,0,0,0,0|1,0,0]=3 144 B10R0.55 NCC(=O)NCCCC(=O)O MCULE-6161493754 [1,1,0,0,0,0|1,0,0]=3 145 B10R0.55 O=C(O)CCCNC(=O)CCl MCULE-4514491154 [1,1,0,0,0,0|1,0,0]=3 146 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [1,1,0,0,0,0|2,0,0]=4 147 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [1,1,0,0,0,0|1,0,0]=3 148 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-5384056558 [1,1,0,0,0,0|1,0,0]=3 149 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O MCULE-9151560319 [1,1,0,0,0,0|1,0,0]=3 150 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-7691334763 [1,1,0,0,0,0|2,0,0]=4 151 B10R0.98 CC(=O)OCCC(N)C(=O)O MCULE-9993433450 [1,1,0,0,0,0|2,0,0]=4 152 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-5425852779 [1,1,0,0,0,0|2,0,0]=4 153 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O MCULE-6909234177 [1,1,0,0,0,0|2,0,0]=4 154 B10R0.65 CNS(=O)(=O)CCCC(=O)O MCULE-3412957806 [0,1,0,0,1,0|2,0,0]=4 155 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-2040686966 [0,1,0,0,1,0|2,0,0]=4 156 B10R0.92 CS(=O)(=O)CCC(N)C(=O)N MCULE-6821893612 [0,1,0,0,1,0|2,0,0]=4 157 B10R0.92 CS(=O)(=O)CCC(N)C(=O)O MCULE-8107053430 [0,1,0,0,1,0|2,0,0]=4 158 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-1126326759 [0,1,0,0,1,0|2,0,0]=4 159 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O MCULE-3558725435 [0,1,0,0,1,0|2,0,0]=4 160 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-2269540933 [0,1,0,0,1,0|2,0,0]=4 161 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O MCULE-4203364916 [0,1,0,0,1,0|2,0,0]=4 162 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O MCULE-7377602601 [0,1,0,0,1,0|1,0,0]=3 163 B10R0.92 NC(COS(=O)(=O)O)C(=O)O MCULE-5049646882 [0,1,0,0,1,0|2,0,0]=4 164 B10R0.92 NC(CSS(=O)(=O)O)C(=O)[O-] MCULE-4046079265 [0,1,0,0,1,0|2,0,0]=4 165 B10R0.92 N[C@@H](CCS(=O)(=O)O)C(=O)O MCULE-8204260402 [0,1,0,0,1,0|1,0,0]=3 166 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-3746813647 [0,1,0,0,1,0|2,0,0]=4 167 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O MCULE-9474608832 [0,1,0,0,1,0|2,0,0]=4 168 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)O MCULE-5127296011 [0,1,0,0,1,0|2,0,0]=4 169 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-1017024868 [0,1,0,0,1,0|2,0,0]=4 170 B10R0.92 N[C@@H](CSS(=O)(=O)O)C(=O)[O-] MCULE-7847954389 [0,1,0,0,1,0|2,0,0]=4 171 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)O MCULE-9668444815 [0,1,0,0,1,0|2,0,0]=4 172 B10R0.113 CS(=O)(=O)CCCS(=O)(=O)Cl MCULE-5350883116 [0,1,0,0,1,0|2,0,0]=4 173 B10R0.113 CS(=O)(=O)CCCS(=O)(=O)N MCULE-2279460607 [0,1,0,0,1,0|2,0,0]=4 174 B10R0.113 C[Si](C)(C)CCCS(=O)(=O)O MCULE-3103801898 [0,1,0,0,1,0|1,1,0]=4 175 B10R0.113 O=S(=O)(O)CCCS(=O)(=O)O MCULE-4099044124 [0,1,0,0,1,0|2,0,0]=4 176 B12R0.150 COC(=O)CCCCCS(=O)(=O)Cl MCULE-1504606123 [0,1,0,0,0,1|2,0,0]=4 177 B10R1.28 CS(=O)(=O)C1CCNCC1 MCULE-8178040028 [1,0,0,1,0,0|1,0,1]=4 178 B10R1.28 CS(=O)(=O)C1CCNCC1 MCULE-9215123618 [1,0,0,1,0,0|1,0,1]=4 179 B10R1.28 NS(=O)(=O)C1CCNCC1 MCULE-8428216657 [1,0,0,1,0,0|1,0,1]=4 180 B10R1.28 NS(=O)(=O)C1CCNCC1 MCULE-9537631251 [1,0,0,1,0,0|1,0,1]=4 181 B10R1.28 O=S(=O)(Cl)C1CC=CCC1 MCULE-5338190743 [1,0,0,1,0,0|2,0,0]=4 182 B10R1.28 O=S(=O)(F)C1CC=CCC1 MCULE-3200518085 [1,0,0,1,0,0|2,0,0]=4 183 B10R1.28 O=S(=O)(F)C1CCNCC1 MCULE-8404218750 [1,0,0,1,0,0|1,0,1]=4 184 B10R1.28 O=S(=O)(F)C1CCNCC1 MCULE-9312823021 [1,0,0,1,0,0|1,0,1]=4 185 B10R1.28 O=S(=O)(O)C1CCCNC1 MCULE-3529161221 [1,0,0,1,0,0|2,0,0]=4 186 B10R1.28 O=S(=O)(O)C1CCNCC1 MCULE-8375087442 [1,0,0,1,0,0|0,0,1]=3 187 B10R1.65 CS(=O)(=O)C1CCCC1=O MCULE-7254054725 [1,0,0,1,0,0|2,0,0]=4 188 B10R1.65 CS(=O)(=O)N1CCNC1=O MCULE-3489970556 [1,0,0,1,0,0|2,0,0]=4 189 B10R1.95 CCNC1CCS(=O)(=O)C1 MCULE-1197380585 [1,0,0,1,0,0|1,0,1]=4 190 B10R1.95 CCNC1CCS(=O)(=O)C1 MCULE-1283914323 [1,0,0,1,0,0|1,0,1]=4 191 B10R1.95 O=CNC1CCS(=O)(=O)C1 MCULE-9904583491 [1,0,0,1,0,0|1,0,0]=3 192 B10R1.106 C[C@@H]1NC[C@@H]1CS(=O)(=O)C MCULE-8409679351 [1,0,0,1,0,0|1,0,1]=4 193 B10R1.106 C[C@@H]1NC[C@@H]1CS(=O)(=O)C MCULE-9779761958 [1,0,0,1,0,0|1,0,1]=4 194 B10R1.106 C[C@@H]1NC[C@H]1CS(=O)(=O)C MCULE-7225503273 [1,0,0,1,0,0|1,0,1]=4 195 B10R1.106 C[C@@H]1NC[C@H]1CS(=O)(=O)C MCULE-7233202218 [1,0,0,1,0,0|1,0,1]=4 196 B10R1.106 C[C@H]1NC[C@@H]1CS(=O)(=O)C MCULE-1944928220 [1,0,0,1,0,0|1,0,1]=4 197 B10R1.106 C[C@H]1NC[C@@H]1CS(=O)(=O)C MCULE-9350167613 [1,0,0,1,0,0|1,0,1]=4 198 B10R1.106 C[C@H]1NC[C@H]1CS(=O)(=O)C MCULE-7423725450 [1,0,0,1,0,0|1,0,1]=4 199 B10R1.106 C[C@H]1NC[C@H]1CS(=O)(=O)C MCULE-8980297934 [1,0,0,1,0,0|1,0,1]=4 200 B10R1.276 CC1CS(=O)(=O)CCCN1 MCULE-2741261839 [1,0,0,1,0,0|1,0,1]=4 201 B10R1.276 CC1CS(=O)(=O)CCCN1 MCULE-9232527992 [1,0,0,1,0,0|1,0,1]=4 202 B10R1.281 CS(=O)(=O)CC1CCNC1 MCULE-1938166899 [1,0,0,1,0,0|1,0,1]=4 203 B10R1.281 CS(=O)(=O)CC1CCNC1 MCULE-6563874111 [1,0,0,1,0,0|1,0,1]=4 204 B10R1.281 NS(=O)(=O)CC1CCNC1 MCULE-4304757198 [1,0,0,1,0,0|1,0,1]=4 205 B10R1.281 NS(=O)(=O)CC1CCNC1 MCULE-9687088972 [1,0,0,1,0,0|1,0,1]=4 206 B10R1.281 O=S(=O)(F)CC1CCNC1 MCULE-3464169051 [1,0,0,1,0,0|1,0,1]=4 207 B10R1.281 O=S(=O)(F)CC1CCNC1 MCULE-8734302594 [1,0,0,1,0,0|1,0,1]=4 208 B10R1.54 O=C(O)CC1CCC(=O)C1 MCULE-8065311815 [1,0,0,1,0,0|2,0,0]=4 209 B10R1.54 O=C(O)CC1CNC(=O)C1 MCULE-1228415378 [1,0,0,1,0,0|1,0,0]=3 210 B10R1.54 O=C(O)CC1COC(=O)C1 MCULE-9024324984 [1,0,0,1,0,0|2,0,0]=4 211 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-1700675888 [1,0,0,1,0,0|2,0,0]=4 212 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 MCULE-3179723751 [1,0,0,1,0,0|2,0,0]=4 213 B10R1.54 O=C1CCC(C1)CN(=O)=O MCULE-6321532833 [1,0,0,1,0,0|2,0,0]=4 214 B10R1.82 O=C(O)CCC1CC(=O)C1 MCULE-8509527472 [1,0,0,1,0,0|2,0,0]=4 215 B10R1.113 CC(=O)C1CCNC(=O)C1 MCULE-9774471516 [1,0,0,1,0,0|2,0,0]=4 216 B10R1.113 CC(=O)N1CCCC(=O)C1 MCULE-7455044173 [1,0,0,1,0,0|2,0,0]=4 217 B10R1.113 CC(=O)N1CCCC(C1)O MCULE-4557043332 [1,0,0,1,0,0|2,0,0]=4 218 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-1777848146 [1,0,0,1,0,0|2,0,0]=4 219 B10R1.113 CC(=O)N1CCC[C@@H](C1)O MCULE-5198604448 [1,0,0,1,0,0|2,0,0]=4 220 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-4329362874 [1,0,0,1,0,0|2,0,0]=4 221 B10R1.113 CC(=O)N1CCC[C@H](C1)O MCULE-8344466566 [1,0,0,1,0,0|2,0,0]=4 222 B10R1.113 CC(O)C1CCNC(=O)C1 MCULE-7173594172 [1,0,0,1,0,0|2,0,0]=4 223 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-2656568536 [1,0,0,1,0,0|2,0,0]=4 224 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O MCULE-4918579312 [1,0,0,1,0,0|2,0,0]=4 225 B10R1.113 O=C1CC(CCN1)B(O)O MCULE-8962803992 [1,0,0,1,0,0|1,0,1]=4 226 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [1,0,0,1,0,0|1,0,0]=3 227 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-4653652849 [1,0,0,1,0,0|2,0,0]=4 228 B10R1.113 O=C1CC(CNN1)C(=O)O MCULE-5555795045 [1,0,0,1,0,0|2,0,0]=4 229 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [1,0,0,1,0,0|2,0,0]=4 230 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [1,0,0,1,0,0|2,0,0]=4 231 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [1,0,0,1,0,0|2,0,0]=4 232 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [1,0,0,1,0,0|1,0,0]=3 233 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [1,0,0,1,0,0|1,0,0]=3 234 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [1,0,0,1,0,0|1,0,0]=3 235 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [1,0,0,1,0,0|2,0,0]=4 236 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [1,0,0,1,0,0|2,0,0]=4 237 B10R1.128 CC(C)N1CCCS1(=O)=O MCULE-8116672696 [1,0,0,1,0,0|1,0,1]=4 238 B10R1.128 O=C(O)C1CCCS1(=O)=O MCULE-6333477940 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.351 CC(=O)N[C@@H]1CC[C@@]1(C)O MCULE-1388919660 [1,0,0,1,0,0|2,0,0]=4 240 B10R1.361 CC(=O)N1CCC1C(=O)O MCULE-4216069349 [1,0,0,1,0,0|1,0,0]=3 241 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O MCULE-3086147567 [1,0,0,1,0,0|1,0,0]=3 242 B10R1.55 CS(=O)(=O)N1CCC(=O)C1 MCULE-8635891189 [0,0,0,1,1,0|2,0,0]=4 243 B10R1.55 CS(=O)(=O)[C@@H]1CNC(=O)C1 MCULE-1110218833 [0,0,0,1,1,0|1,0,0]=3 244 B10R1.302 O=C1CCCS(=O)(=O)CC1 MCULE-6131430646 [0,0,0,1,1,0|1,0,0]=3 245 B10R1.302 O=C1CCS(=O)(=O)CCN1 MCULE-1815119791 [0,0,0,1,1,0|1,0,0]=3 246 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 MCULE-7502084743 [0,0,0,1,1,0|1,0,0]=3 247 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 MCULE-3551776261 [0,0,0,1,1,0|2,0,0]=4 248 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 MCULE-5768819085 [0,0,0,1,1,0|2,0,0]=4 249 B10R1.371 O=C(O)CC1CS(=O)(=O)C1 MCULE-1664877962 [0,0,0,1,1,0|2,0,0]=4 250 B12R1.836 CS(=O)(=O)OCC1CNC(=O)C1 MCULE-1907538472 [0,0,0,1,0,1|1,0,0]=3 251 B12R1.1806 CC(=NNC1CCS(=O)(=O)C1)C MCULE-2370315409 [0,0,0,1,0,1|2,0,0]=4 252 B12R1.1806 O=C(O)CNC1CCS(=O)(=O)C1 MCULE-2073410518 [0,0,0,1,0,1|2,0,0]=4 253 B12R1.1806 O=C(O)CNC1CCS(=O)(=O)C1 MCULE-8367112090 [0,0,0,1,0,1|2,0,0]=4 254 B12R1.106 CS(=O)(=O)CC1CCC(=O)CC1 MCULE-4817224372 [0,1,0,1,0,0|2,0,0]=4 255 B12R1.844 CC(=O)NC1CS(=O)(=O)CC1Cl MCULE-4659177236 [0,1,0,1,0,0|1,0,0]=3 256 B12R1.844 CC(=O)OC1CS(=O)(=O)CC1Cl MCULE-7346307524 [0,1,0,1,0,0|2,0,0]=4 257 B12R1.844 NC(=O)NC1CS(=O)(=O)CC1O MCULE-9874513914 [0,1,0,1,0,0|2,0,0]=4 258 B12R1.1381 CC(=O)N1CC(C1)OS(=O)(=O)C MCULE-3488191302 [0,1,0,1,0,0|2,0,0]=4 259 B12R1.1673 C=CC(=O)NC1CCS(=O)(=O)C1 MCULE-5244282769 [0,1,0,1,0,0|1,0,1]=4 260 B12R1.1673 CNC(=O)NC1CCS(=O)(=O)C1 MCULE-2143135005 [0,1,0,1,0,0|1,0,0]=3 261 B12R1.1673 CNC(=S)NC1CCS(=O)(=O)C1 MCULE-3629482299 [0,1,0,1,0,0|1,1,0]=4 262 B12R1.1673 COC(=O)CC1CCS(=O)(=O)C1 MCULE-2743150058 [0,1,0,1,0,0|2,0,0]=4 263 B12R1.1673 COC(=O)NC1CCS(=O)(=O)C1 MCULE-3104074659 [0,1,0,1,0,0|1,0,0]=3 264 B12R1.1673 COC(=O)OC1CCS(=O)(=O)C1 MCULE-7426882751 [0,1,0,1,0,0|2,0,0]=4 265 B12R1.1673 CSC(=S)NC1CCS(=O)(=O)C1 MCULE-1069306437 [0,1,0,1,0,0|1,1,0]=4 266 B12R1.1673 NCC(=O)NC1CCS(=O)(=O)C1 MCULE-3824446079 [0,1,0,1,0,0|1,0,0]=3 267 B12R1.1673 NCC(=O)NC1CCS(=O)(=O)C1 MCULE-6436148864 [0,1,0,1,0,0|1,0,0]=3 268 B12R1.1673 NNC(=O)NC1CCS(=O)(=O)C1 MCULE-8857527025 [0,1,0,1,0,0|2,0,0]=4 269 B12R1.1673 O=C(CCl)NC1CCS(=O)(=O)C1 MCULE-4937568731 [0,1,0,1,0,0|1,0,0]=3 270 B12R1.2203 CC(=O)N(C)C1CCS(=O)(=O)C1 MCULE-9320524973 [0,1,0,1,0,0|1,0,0]=3 271 B12R1.2203 CN(C(=O)Cl)C1CCS(=O)(=O)C1 MCULE-3284857888 [0,1,0,1,0,0|2,0,0]=4 272 B12R1.2203 CN(C(=O)N)C1CCS(=O)(=O)C1 MCULE-4703569619 [0,1,0,1,0,0|2,0,0]=4 273 B12R1.1831 CC(=O)NC1(CCS(=O)(=O)C1)C MCULE-3257517264 [0,1,0,1,0,0|1,0,0]=3 274 B12R1.1831 CC(=O)OC1(CCS(=O)(=O)C1)C MCULE-8486021340 [0,1,0,1,0,0|2,0,0]=4 275 B12R1.1831 CC1(CCS(=O)(=O)C1)NC(=O)N MCULE-9622417480 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.237 O=C1NC2CS(=O)(=O)CC2N1 MCULE-9642336501 [0,0,0,2,0,0|2,0,0]=4 277 B12R2.237 O=C1NC2CS(=O)(=O)CC2O1 MCULE-6591690733 [0,0,0,2,0,0|2,0,0]=4 278 B12R2.237 O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1 MCULE-4918424709 [0,0,0,2,0,0|2,0,0]=4 279 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,0,0,0,1,0|2,0,0]=4 280 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [1,0,0,0,1,0|2,0,0]=4 281 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [1,0,0,0,1,0|2,0,0]=4 282 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,0,0,0,1,0|1,0,0]=3 283 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [1,0,0,0,1,0|2,0,0]=4 284 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [1,0,0,0,1,0|1,0,0]=3 285 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [1,0,0,0,1,0|1,0,1]=4 286 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [1,0,0,0,1,0|2,0,0]=4 287 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [1,0,0,0,1,0|2,0,0]=4 288 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [1,0,0,0,1,0|2,0,0]=4 289 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [1,0,0,0,1,0|2,0,0]=4 290 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [1,0,0,0,1,0|2,0,0]=4 291 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [1,0,0,0,1,0|2,0,0]=4 292 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [1,0,0,0,1,0|2,0,0]=4 293 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [0,0,0,0,2,0|1,0,0]=3 294 B8R0.29 CC(=O)CNS(=O)(=O)C MCULE-3357245714 [0,0,0,0,2,0|2,0,0]=4 295 B8R0.29 CC(=O)COS(=O)(=O)C MCULE-9016144725 [0,0,0,0,2,0|2,0,0]=4 296 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,0,0,0,2,0|1,0,1]=4 297 B8R0.29 CC(=O)NNS(=O)(=O)C MCULE-4632258944 [0,0,0,0,2,0|2,0,0]=4 298 B8R0.29 CN(C)CCS(=O)(=O)O MCULE-2605112532 [0,0,0,0,2,0|2,0,0]=4 299 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,0,0,0,2,0|2,0,0]=4 300 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,0,0,0,2,0|2,0,0]=4 301 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,0,0,0,2,0|1,0,0]=3 302 B8R0.29 O=C([O-])CCS(=O)(=O)[O-] MCULE-7929163880 [0,0,0,0,2,0|1,0,1]=4 303 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [1,0,0,0,0,1|2,0,0]=4 304 B10R0.97 CC(=O)NCCCCC(=O)O MCULE-6323800073 [1,0,0,0,0,1|1,0,0]=3 305 B10R0.97 CC(=O)NCCOCC(=O)O MCULE-8156973678 [1,0,0,0,0,1|1,0,0]=3 306 B10R0.97 CC(=O)NCSCCC(=O)O MCULE-1672994332 [1,0,0,0,0,1|1,0,0]=3 307 B10R0.97 CC(=O)OCCCCN(=O)=O MCULE-8216543774 [1,0,0,0,0,1|2,0,0]=4 308 B10R0.97 NC(=O)NCCCCC(=O)O MCULE-1121500109 [1,0,0,0,0,1|2,0,0]=4 309 B12R0.137 CC(=O)OC#CCCCS(=O)(=O)[O-] MCULE-3294136544 [0,0,0,0,0,2|1,0,1]=4 310 B12R0.137 CC(=O)OC#CCCCS(=O)(=O)[O-] MCULE-7086121724 [0,0,0,0,0,2|1,0,1]=4