0 B8R1.21 CC1OC1C(F)(F)F MCULE-2164829132 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.21 CC1OC1P(=O)(O)O MCULE-5164420092 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.21 CC1OC1P(=O)([O-])O MCULE-7855698474 [0,0,0,0,0,0|0,0,1]=1 3 B8R1.21 CC1OC1P(=O)([O-])[O-] MCULE-4494242735 [0,0,0,0,0,0|0,0,2]=2 4 B8R1.21 CC1OC1P(=O)([O-])[O-] MCULE-6320039218 [0,0,0,0,0,0|0,0,2]=2 5 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-4962662046 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-6676633484 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] MCULE-1047713286 [0,0,0,0,0,0|0,0,2]=2 8 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] MCULE-5505757333 [0,0,0,0,0,0|0,0,2]=2 9 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-7204032188 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-9004478529 [0,0,0,0,0,0|0,0,0]=0 11 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])O MCULE-7826606646 [0,0,0,0,0,0|0,0,1]=1 12 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-2953479591 [0,0,0,0,0,0|0,0,2]=2 13 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-3988579842 [0,0,0,0,0,0|0,0,2]=2 14 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-6065513059 [0,0,0,0,0,0|0,0,2]=2 15 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-8900832393 [0,0,0,0,0,0|0,0,2]=2 16 B8R1.21 [C@H]1(O[C@@H]1P(=O)([O-])[O-])C MCULE-5436190258 [0,0,0,0,0,0|0,0,2]=2 17 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,0,0,0,0,0|2,1,0]=4 24 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.26 CC(C)(O)C1CO1 MCULE-7074440148 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.8 CC/C=C/P(=O)(O)O MCULE-7978096920 [0,0,1,0,0,0|1,0,1]=3 60 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [0,0,1,0,0,0|1,0,0]=2 61 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [0,0,1,0,0,0|2,0,1]=4 62 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [0,0,1,0,0,0|3,0,0]=4 63 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [0,0,1,0,0,0|3,0,0]=4 64 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [0,0,1,0,0,0|3,0,0]=4 65 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [0,0,1,0,0,0|2,0,0]=3 66 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [0,0,1,0,0,0|3,0,0]=4 67 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [0,0,1,0,0,0|2,0,0]=3 68 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [0,0,1,0,0,0|2,0,0]=3 69 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,0,1,0,0,0|1,0,2]=4 70 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [0,0,1,0,0,0|1,0,0]=2 71 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,0,1,0,0,0|2,0,1]=4 72 B7R0.9 CC(O)CC(C)(C)O MCULE-5281049691 [0,0,1,0,0,0|3,0,0]=4 73 B7R0.9 CC(O)CC(C)(C)O MCULE-8163963858 [0,0,1,0,0,0|3,0,0]=4 74 B7R0.9 CC(O)CS(=O)(=O)C MCULE-9821477194 [0,0,1,0,0,0|2,0,1]=4 75 B7R0.9 C[C@@H](O)CC(C)(C)O MCULE-5779966658 [0,0,1,0,0,0|3,0,0]=4 76 B7R0.9 C[C@H](O)CC(C)(C)O MCULE-6903579241 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,0,1,0,0,0|1,0,1]=3 78 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [0,0,1,0,0,0|2,0,1]=4 79 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,0,1,0,0,0|1,0,0]=2 80 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,0,1,0,0,0|1,0,1]=3 81 B7R0.14 CCC(O)S(=O)(=O)[O-] MCULE-2259834066 [0,0,1,0,0,0|1,0,2]=4 82 B7R0.14 O=S(=O)(O)C(O)CCl MCULE-7097420026 [0,0,1,0,0,0|2,0,1]=4 83 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,1,0,0,0|2,0,0]=4 84 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,1,0,0,0|2,0,0]=4 85 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,1,0,0,0|2,0,0]=4 86 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,1,0,0,0|2,0,0]=4 87 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,1,0,0,0|2,0,0]=4 88 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,1,0,0,0|2,0,0]=4 89 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,1,0,0,0|1,0,0]=3 90 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,1,0,0,0|2,0,0]=4 91 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,1,0,0,0|2,0,0]=4 92 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,1,0,0,0|1,1,0]=4 93 B6R0.5 C/C=C\P(=O)(O)O MCULE-8382984782 [1,0,1,0,0,0|0,0,2]=4 94 B6R0.5 CC=CP(=O)(O)O MCULE-3593796042 [1,0,1,0,0,0|0,0,2]=4 95 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [1,0,1,0,0,0|0,0,0]=2 96 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [1,0,1,0,0,0|1,0,1]=4 97 B6R0.5 CCOP(=O)(C)S MCULE-4864782374 [1,0,1,0,0,0|1,1,0]=4 98 B6R0.5 CCOP(=O)(Cl)Cl MCULE-7927319323 [1,0,1,0,0,0|2,0,0]=4 99 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [1,0,1,0,0,0|1,0,0]=3 100 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [1,0,1,0,0,0|1,0,0]=3 101 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [1,0,1,0,0,0|1,0,0]=3 102 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [1,0,1,0,0,0|1,0,0]=3 103 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [1,0,1,0,0,0|1,0,0]=3 104 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [1,0,1,0,0,0|0,0,0]=2 105 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [1,0,1,0,0,0|1,0,1]=4 106 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,0,1,0,0,0|2,0,0]=4 107 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,0,1,0,0,0|2,0,0]=4 108 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [1,0,1,0,0,0|2,0,0]=4 109 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,0,1,0,0,0|2,0,0]=4 110 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,0,1,0,0,0|2,0,0]=4 111 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,0,1,0,0,0|2,0,0]=4 112 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,0,1,0,0,0|2,0,0]=4 113 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,0,1,0,0,0|2,0,0]=4 114 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,0,1,0,0,0|2,0,0]=4 115 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,0,1,0,0,0|2,0,0]=4 117 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,0,1,0,0,0|1,0,0]=3 118 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,0,1,0,0,0|1,0,0]=3 119 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,0,1,0,0,0|1,0,1]=4 120 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,0,1,0,0,0|1,0,1]=4 121 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [1,0,1,0,0,0|0,1,1]=4 123 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,0,1,0,0,0|2,0,0]=4 126 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,0,1,0,0,0|1,0,0]=3 129 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,0,1,0,0,0|1,0,0]=3 130 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,0,1,0,0,0|1,0,1]=4 131 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,0,1,0,0,0|1,0,1]=4 132 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [1,0,1,0,0,0|2,0,0]=4 133 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [1,0,1,0,0,0|2,0,0]=4 134 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [1,0,1,0,0,0|2,0,0]=4 135 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,0,1,0,0,0|2,0,0]=4 136 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,0,1,0,0,0|2,0,0]=4 138 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,0,1,0,0,0|2,0,0]=4 141 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,0,1,0,0,0|1,0,0]=3 142 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,0,1,0,0,0|1,0,0]=3 143 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,0,1,0,0,0|1,0,1]=4 144 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,0,1,0,0,0|1,0,1]=4 145 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [1,0,1,0,0,0|2,0,0]=4 146 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [1,0,1,0,0,0|2,0,0]=4 147 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,0,1,0,0,0|2,0,0]=4 150 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,0,1,0,0,0|2,0,0]=4 151 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,0,1,0,0,0|2,0,0]=4 152 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,0,1,0,0,0|2,0,0]=4 153 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,0,1,0,0,0|2,0,0]=4 155 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,0,1,0,0,0|2,0,0]=4 156 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,0,1,0,0,0|2,0,0]=4 157 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,0,1,0,0,0|2,0,0]=4 158 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,0,1,0,0,0|1,0,0]=3 159 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,0,1,0,0,0|1,0,0]=3 160 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,0,1,0,0,0|1,0,1]=4 161 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,0,1,0,0,0|1,0,1]=4 162 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [1,0,1,0,0,0|2,0,0]=4 163 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,0,1,0,0,0|1,1,0]=4 164 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,0,1,0,0,0|2,0,0]=4 165 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,0,1,0,0,0|2,0,0]=4 166 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,0,1,0,0,0|2,0,0]=4 167 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,0,1,0,0,0|2,0,0]=4 168 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,0,1,0,0,0|2,0,0]=4 170 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,0,1,0,0,0|2,0,0]=4 171 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,0,1,0,0,0|2,0,0]=4 172 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,0,1,0,0,0|2,0,0]=4 173 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,0,1,0,0,0|2,0,0]=4 174 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,0,1,0,0,0|1,0,0]=3 175 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,0,1,0,0,0|1,0,0]=3 176 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,0,1,0,0,0|2,0,0]=4 177 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,0,1,0,0,0|2,0,0]=4 178 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,0,1,0,0,0|2,0,0]=4 179 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,0,1,0,0,0|2,0,0]=4 180 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,0,1,0,0,0|2,0,0]=4 181 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,0,1,0,0,0|2,0,0]=4 183 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,0,1,0,0,0|2,0,0]=4 184 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,0,1,0,0,0|1,0,0]=3 186 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,0,1,0,0,0|1,0,0]=3 187 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,0,1,0,0,0|1,0,1]=4 188 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,0,1,0,0,0|2,0,0]=4 191 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,0,1,0,0,0|2,0,0]=4 192 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,0,1,0,0,0|1,1,0]=4 202 B6R0.7 C=C(C)P(=O)(O)O MCULE-4023318169 [1,0,1,0,0,0|1,0,1]=4 203 B6R0.7 CC(C)P(=O)(O)O MCULE-4572861400 [1,0,1,0,0,0|1,0,0]=3 204 B6R0.7 CC(N)P(=O)(O)O MCULE-6335375089 [1,0,1,0,0,0|1,0,0]=3 205 B6R0.7 C[C@@H](N)P(=O)(O)O MCULE-6555656905 [1,0,1,0,0,0|1,0,0]=3 206 B6R0.7 C[C@H](N)P(=O)(O)O MCULE-8139992515 [1,0,1,0,0,0|1,0,0]=3 207 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [1,0,1,0,0,0|1,0,1]=4 208 B6R1.8 CC1CC1C=O MCULE-2600627355 [2,0,0,0,0,0|2,0,0]=4 209 B6R1.8 CC1CC1CO MCULE-5196594569 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.8 CC1OC1CBr MCULE-3133107383 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.8 CC1OC1CO MCULE-1680425960 [2,0,0,0,0,0|1,0,0]=3 212 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [2,0,0,0,0,0|2,0,0]=4 213 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [2,0,0,0,0,0|2,0,0]=4 215 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [2,0,0,0,0,0|2,0,0]=4 216 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [2,0,0,0,0,0|2,0,0]=4 217 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [2,0,0,0,0,0|2,0,0]=4 218 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [2,0,0,0,0,0|2,0,0]=4 221 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [2,0,0,0,0,0|2,0,0]=4 223 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [2,0,0,0,0,0|1,0,0]=3 224 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [2,0,0,0,0,0|2,0,0]=4 226 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [2,0,0,0,0,0|1,0,0]=3 227 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [2,0,0,0,0,0|1,0,0]=3 228 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [2,0,0,0,0,0|1,0,1]=4 229 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [2,0,0,0,0,0|1,0,1]=4 230 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [2,0,0,0,0,0|1,0,1]=4 231 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [2,0,0,0,0,0|1,0,1]=4 232 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [2,0,0,0,0,0|1,0,1]=4 233 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [2,0,0,0,0,0|1,0,1]=4 234 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [2,0,0,0,0,0|1,0,1]=4 235 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [2,0,0,0,0,0|2,0,0]=4 236 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [2,0,0,0,0,0|2,0,0]=4 237 B8R0.14 CCOC(=O)P(=O)(O)O MCULE-4584710421 [0,1,1,0,0,0|0,0,1]=3 238 B8R0.21 CCCCOP(=O)(O)O MCULE-7637624598 [0,1,1,0,0,0|1,0,0]=3 239 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [0,1,1,0,0,0|1,0,0]=3 240 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [0,1,1,0,0,0|1,0,0]=3 241 B8R0.24 COC(=O)CP(=O)(O)O MCULE-7218551741 [0,1,1,0,0,0|2,0,0]=4 242 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [0,1,1,0,0,0|2,0,0]=4 243 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [0,1,1,0,0,0|2,0,0]=4 244 B8R0.25 NCCCP(=O)(O)CO MCULE-2944312169 [0,1,1,0,0,0|2,0,0]=4 245 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,1,1,0,0,0|1,0,1]=4 246 B8R0.27 CC(C(=O)O)P(=O)(O)O MCULE-8565461015 [0,1,1,0,0,0|1,0,1]=4 247 B8R0.27 O=C(O)C(Cl)P(=O)(O)O MCULE-8492715834 [0,1,1,0,0,0|1,0,1]=4 248 B8R0.27 O=C(O)C(O)P(=O)(O)O MCULE-5564177953 [0,1,1,0,0,0|1,0,1]=4 249 B8R0.33 CC(C)(N)OP(=O)(O)O MCULE-1214375295 [0,1,1,0,0,0|2,0,0]=4 250 B8R0.33 O=P(O)(O)CP(=O)(O)O MCULE-3698902523 [0,1,1,0,0,0|2,0,0]=4 251 B8R0.34 O=C(O)CP(=O)(O)OO MCULE-4846368706 [0,1,1,0,0,0|1,0,1]=4 252 B8R0.17 CC(O)(CN)P(=O)(O)O MCULE-7669605686 [0,1,1,0,0,0|1,0,0]=3 253 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.77 CC1(CC1B(O)O)C MCULE-7776925356 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.83 COC(=O)C1CC1C MCULE-9202068586 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.602 C1(CN1P(=O)(OC)OC)C MCULE-2907859637 [0,2,0,0,0,0|2,0,0]=4 276 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [1,0,0,0,0,1|2,0,0]=4 278 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [1,0,0,0,0,1|2,0,0]=4 279 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [1,0,0,0,0,1|2,0,0]=4 280 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [1,0,0,0,0,1|2,0,0]=4 281 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [1,0,0,0,0,1|2,0,0]=4 282 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [1,0,0,0,0,1|2,0,0]=4 283 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [1,0,0,0,0,1|2,0,0]=4 284 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [1,0,0,0,0,1|2,0,0]=4 285 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [1,0,0,0,0,1|2,0,0]=4 286 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [1,0,0,0,0,1|2,0,0]=4 287 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [1,0,0,0,0,1|2,0,0]=4 288 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [1,0,0,0,0,1|2,0,0]=4 289 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [1,0,0,0,0,1|2,0,0]=4 290 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [1,0,0,0,0,1|2,0,0]=4 291 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [1,0,0,0,0,1|2,0,0]=4