0 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 C=C(C)CCN(=O)=O MCULE-5685156382 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,0|1,0,1]=2 22 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,0,0,0,0,0|3,1,0]=4 38 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,0|2,1,0]=3 41 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,0|1,0,1]=2 52 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,0|1,0,2]=3 53 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,0|1,1,1]=3 55 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,0,0,0,0,0|2,0,2]=4 63 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,0,0,0,0,0|2,0,2]=4 64 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,0|2,0,1]=3 66 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,0|2,0,1]=3 67 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,0|3,0,0]=3 71 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,0|3,0,0]=3 72 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,0|3,0,0]=3 74 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,0|3,0,0]=3 75 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,0,0,0,0,0|4,0,0]=4 76 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,0|3,0,0]=3 78 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,0|3,0,0]=3 79 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,0|2,0,2]=4 80 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,0|1,0,2]=3 81 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,0|1,0,2]=3 82 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,0|4,0,0]=4 83 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,0|2,0,2]=4 84 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,0|2,0,2]=4 85 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,0|1,0,2]=3 86 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,0|2,0,0]=2 87 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,0|1,0,0]=1 88 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,0,0|3,1,0]=4 89 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,0|2,0,0]=2 91 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,0|4,0,0]=4 92 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,0|2,0,0]=2 93 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,0|2,1,0]=3 94 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,0,0,0,0,0|2,0,2]=4 96 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,0|2,0,0]=2 97 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,0|0,0,2]=2 98 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,0|0,0,2]=2 99 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,0|0,0,2]=2 100 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,0|0,0,2]=2 101 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,0|0,0,2]=2 102 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,0|0,0,2]=2 103 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,0|0,0,2]=2 104 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,0|0,0,2]=2 105 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,0|0,0,2]=2 106 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,0|1,0,1]=2 107 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,0|0,0,0]=0 108 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,0|0,0,0]=0 109 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,0|2,0,1]=3 110 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,0|1,0,1]=2 111 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,0,0,0,0,0|0,0,4]=4 115 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,0|0,0,3]=3 116 B7R0.6 O=C([O-])C#CC(=O)[O-] MCULE-8160569506 [0,0,0,0,0,0|0,0,4]=4 117 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,0,0,0,0,0|0,0,4]=4 118 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,0|0,0,1]=1 119 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,0|0,0,2]=2 120 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,0|2,0,2]=4 121 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|1,0,1]=3 125 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|1,0,2]=4 126 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|1,0,1]=3 129 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,0,0,0,0,0|1,0,2]=4 132 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|1,0,2]=4 133 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,0,0,0,0,0|1,0,2]=4 134 B6R0.4 C=CCCB(O)O MCULE-9431650735 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|1,0,0]=2 142 B6R0.4 C=CCCC(C)O MCULE-3388106789 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.4 C=CCCN(=O)=O MCULE-9645435231 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|1,0,2]=4 154 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|1,0,0]=2 156 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|1,0,1]=3 159 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.4 CC(C)CCC=O MCULE-9664145623 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|1,0,2]=4 163 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|1,0,1]=3 164 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|1,0,1]=3 169 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|1,0,2]=4 170 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.4 CN(C)CCC=O MCULE-6830649526 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|2,0,0]=3 187 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|3,0,0]=4 188 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|1,0,2]=4 189 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|1,0,1]=3 190 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|1,0,1]=3 194 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|1,1,1]=4 197 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|1,0,1]=3 202 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|1,0,1]=3 203 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|0,0,3]=4 208 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|0,0,3]=4 209 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|0,0,3]=4 210 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|1,0,1]=3 211 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|1,0,1]=3 212 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|1,0,1]=3 213 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|1,0,1]=3 214 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|0,1,1]=3 215 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|1,0,1]=3 216 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|1,0,2]=4 217 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|1,0,2]=4 218 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|0,0,0]=1 219 B6R0.4 O=CCCC(F)F MCULE-4743402824 [1,0,0,0,0,0|2,0,1]=4 220 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,0,0,0,0,0|1,0,1]=3 221 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|1,0,0]=2 222 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|1,0,2]=4 223 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,0,0,0,0|1,0,2]=4 224 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,1,0,0,0,0|2,0,0]=3 228 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,1,0,0,0,0|2,0,1]=4 233 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,0|1,0,0]=2 234 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.9 CC(=O)NC/C(=N\O)/N MCULE-6544551877 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.9 CC(=O)NCC(=O)NN MCULE-1688027287 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.9 CC(=O)OCC(=O)CCl MCULE-5422965047 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.9 CC(O)CCC(=O)NN MCULE-3743680204 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,1,0,0,0,0|1,0,2]=4 242 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,1,0,0,0,0|2,0,0]=3 243 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|1,0,0]=2 244 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,1,0,0,0,0|3,0,0]=4 245 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,0|2,0,0]=3 246 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,0|1,0,1]=3 250 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,0|3,0,0]=4 252 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,0|3,0,0]=4 253 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,0,0,0,0|1,0,2]=4 255 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,0|1,0,0]=2 256 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,1,0,0,0,0|3,0,0]=4 257 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,0|2,0,0]=3 258 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,0|1,0,2]=4 260 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,1,0,0,0,0|0,0,2]=3 261 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,1,0,0,0,0|0,0,2]=3 262 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [0,1,0,0,0,0|1,0,2]=4 263 B8R0.9 COC(=O)C=CC(=O)Cl MCULE-8442342779 [0,1,0,0,0,0|1,0,2]=4 264 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,1,0,0,0,0|0,0,2]=3 265 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,0|1,0,0]=2 266 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,1,0,0,0,0|1,0,0]=2 267 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,0|1,0,0]=2 268 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,0|0,0,0]=1 269 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,1,0,0,0,0|1,1,0]=3 270 B8R0.9 COC(=O)CCC(F)F MCULE-4602374642 [0,1,0,0,0,0|2,0,1]=4 271 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,1,0,0,0,0|1,0,1]=3 272 B8R0.9 COC(=O)CCN(C)C MCULE-5967397518 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,1,0,0,0,0|1,0,0]=2 274 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,1,0,0,0,0|1,0,1]=3 275 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,0|2,0,0]=3 276 B8R0.9 COC(=O)CSC(=N)N MCULE-5721573915 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.9 COC(=O)CSC(=N)N MCULE-8534299006 [0,1,0,0,0,0|3,0,0]=4 278 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,0|1,0,1]=3 282 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,0|1,1,1]=4 283 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,0|1,0,0]=2 284 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,0|1,0,0]=2 285 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,0|1,0,0]=2 286 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,0|3,0,0]=4 287 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,0|2,0,0]=3 288 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,0|2,0,0]=3 289 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.9 NNC(=O)CCC(=O)N MCULE-9710004878 [0,1,0,0,0,0|2,0,0]=3 293 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,0|1,0,0]=2 294 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,0|1,0,0]=2 295 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,0|2,0,0]=3 297 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,0|1,0,1]=3 298 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,0|1,0,1]=3 299 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,0|1,0,0]=2 300 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,0|0,0,0]=1 301 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,0|1,0,0]=2 302 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,0|2,0,0]=3 303 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,0|1,0,0]=2 304 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,0,0|0,0,2]=3 305 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,0|2,0,0]=3 307 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,0,0|0,0,2]=3 308 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,0,0|0,0,2]=3 309 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,0|2,0,0]=3 310 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,0|2,0,0]=3 311 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,0|2,0,0]=3 312 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,0|2,0,0]=3 313 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,0|2,0,0]=3 314 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,0|2,0,0]=3 315 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,0|2,0,0]=3 316 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,0|2,0,0]=3 317 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,0|2,0,0]=3 318 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,0|2,0,0]=3 319 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,0|2,0,0]=3 320 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,0|2,0,0]=3 321 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,0|2,0,0]=3 322 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,0|0,0,1]=2 324 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,0|2,0,0]=3 325 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,1,0,0,0,0|2,0,1]=4 327 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,0,0|0,0,2]=3 328 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,0|1,0,0]=2 330 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|1,0,0]=2 331 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|1,0,0]=2 332 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,0|1,0,0]=2 333 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,0|1,0,0]=2 334 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,0|2,0,0]=3 335 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|1,0,0]=2 336 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,0|2,0,0]=3 337 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,0|2,0,0]=3 339 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,0|2,0,0]=3 340 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,1,0,0,0,0|3,0,0]=4 343 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,1,0,0,0,0|3,0,0]=4 344 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,0|2,0,0]=3 345 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,0|2,0,0]=3 346 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,0|2,0,0]=3 347 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,0|2,0,0]=3 348 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,1,0,0,0,0|3,0,0]=4 349 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [0,1,0,0,0,0|3,0,0]=4 350 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,0|2,0,0]=3 351 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,0|2,0,0]=3 352 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [0,1,0,0,0,0|3,0,0]=4 353 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [0,1,0,0,0,0|3,0,0]=4 354 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,0|2,0,0]=3 356 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [0,1,0,0,0,0|3,0,0]=4 357 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,0|2,0,0]=3 359 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,0|2,0,0]=3 360 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,1,0,0,0,0|2,0,1]=4 380 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,1,0,0,0,0|2,0,1]=4 383 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,1,0,0,0,0|2,0,1]=4 384 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,1,0,0,0,0|2,0,1]=4 386 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,1,0,0,0,0|2,0,1]=4 387 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,0,0|2,0,0]=3 400 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|1,0,0]=2 401 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|0,0,0]=1 402 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|0,0,0]=1 403 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,1,0,0,0,0|3,0,0]=4 405 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,1,0,0,0,0|3,0,0]=4 408 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,0,0|2,0,0]=3 412 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,0|1,0,1]=3 413 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,0|1,0,1]=3 414 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,1,0,0,0,0|3,0,0]=4 419 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,1,0,0,0,0|3,0,0]=4 420 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,1,0,0,0,0|3,0,0]=4 423 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,0|3,0,0]=4 424 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,0|2,0,0]=3 427 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,0|1,2,0]=4 428 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,0|2,0,0]=3 430 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,0|2,0,0]=3 431 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|0,0,0]=1 432 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|0,0,0]=1 433 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,0|1,0,1]=3 435 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,0|1,0,1]=3 436 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,0|1,0,1]=3 437 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,0|1,0,1]=3 438 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,0|1,0,1]=3 439 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,0|1,0,1]=3 440 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|0,0,0]=1 441 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|0,0,0]=1 442 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,1,0,0,0,0|3,0,0]=4 443 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,0,0|2,0,0]=3 446 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,0|1,0,1]=3 447 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,0|2,0,0]=3 448 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|1,0,0]=2 449 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,0|1,0,0]=2 450 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,0|1,0,0]=2 451 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,0|2,0,0]=3 452 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,0|1,0,0]=2 453 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,0|1,0,0]=2 454 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,0|2,0,0]=3 455 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,0|2,0,0]=3 456 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,0|2,0,0]=3 457 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,0|2,0,0]=3 458 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,0|1,0,0]=2 459 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,0|1,0,0]=2 460 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,0|2,0,0]=3 461 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|1,0,0]=2 462 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|1,0,0]=2 463 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|1,0,0]=2 464 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|1,0,0]=2 465 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|1,0,0]=2 466 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|1,0,0]=2 467 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|0,0,0]=1 468 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|0,0,0]=1 469 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|0,0,1]=2 470 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|0,0,1]=2 471 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,0|0,0,1]=2 472 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,0,0|0,0,2]=3 473 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,0,0|0,0,2]=3 474 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|0,0,0]=1 477 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|0,0,0]=1 478 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|0,0,1]=2 479 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,0|0,0,1]=2 480 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,0,0|0,0,2]=3 481 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,0,0|0,0,2]=3 482 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,0,0|0,0,2]=3 483 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,0,0|0,0,2]=3 484 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,0,0|0,0,2]=3 485 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,0|1,0,0]=2 490 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,0|1,0,0]=2 491 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|0,0,0]=1 492 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,0,0|0,0,2]=3 495 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,0,0|0,0,2]=3 496 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,0,0|0,0,2]=3 497 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,0|0,0,1]=2 499 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|0,0,0]=1 500 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|0,0,0]=1 501 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|0,0,0]=1 502 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|0,0,0]=1 503 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|0,0,0]=1 504 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|0,0,0]=1 505 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|0,0,0]=1 506 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|0,0,0]=1 507 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|0,0,0]=1 508 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|0,0,0]=1 509 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|0,0,0]=1 510 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|0,0,0]=1 511 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|0,0,0]=1 512 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|0,0,0]=1 513 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|0,0,0]=1 514 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|0,0,0]=1 515 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,0|0,0,1]=2 516 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|0,0,0]=1 517 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,0|2,0,0]=3 518 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|0,0,0]=1 519 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,0|2,0,0]=3 520 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,0,0|1,0,1]=3 521 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,1,0,0,0,0|0,0,2]=3 522 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,1,0,0,0,0|3,0,0]=4 525 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-1599861039 [0,1,0,0,0,0|1,0,2]=4 529 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-4576125997 [0,1,0,0,0,0|1,0,2]=4 530 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-9770985354 [0,1,0,0,0,0|1,0,2]=4 531 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [0,1,0,0,0,0|1,1,1]=4 532 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,0,0|2,0,0]=3 534 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,0|1,0,0]=2 535 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [0,1,0,0,0,0|2,1,0]=4 536 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,0|3,0,0]=4 537 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,0,0|1,0,1]=3 538 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [0,1,0,0,0,0|2,1,0]=4 541 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,0,0|1,0,1]=3 542 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl MCULE-2127623168 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.29 O=C(O)CCC(F)(F)F MCULE-9968667608 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,0,0|1,0,0]=2 545 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,0,0|1,0,0]=2 546 B8R0.29 O=C([O-])CCS(=O)(=O)[O-] MCULE-7929163880 [0,1,0,0,0,0|1,0,2]=4 547 B8R0.29 O=C([O-])CC[Si](O)(O)O MCULE-2020093645 [0,1,0,0,0,0|0,1,2]=4 548 B8R0.29 O=C([O-])CC[Si](O)(O)O MCULE-4188223321 [0,1,0,0,0,0|0,1,2]=4 549 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,0,0,1,0,0|3,0,0]=4 550 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,1,0,0|3,0,0]=4 551 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,1,0,0|3,0,0]=4 552 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,1,0,0|2,0,1]=4 553 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,1,0,0|2,0,0]=3 554 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,0|2,0,0]=3 555 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,0,0|2,0,0]=3 556 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,0|1,0,0]=2 557 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,1,0,0|2,0,1]=4 558 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,1,0,0|2,0,1]=4 559 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,0,0|1,0,1]=3 560 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,0,0,1,0,0|3,0,0]=4 561 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,1,0,0|2,0,1]=4 562 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,1,0,0|2,0,1]=4 563 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,1,0,0|2,0,1]=4 564 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,1,0,0|2,0,1]=4 565 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,1,0,0|3,0,0]=4 566 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,0|2,0,0]=3 567 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,0|2,0,0]=3 568 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,0|2,0,1]=4 569 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,0|1,0,0]=2 570 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [0,0,0,1,0,0|3,0,0]=4 571 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [0,0,0,1,0,0|3,0,0]=4 572 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,0,0,1,0,0|3,0,0]=4 573 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,0|2,0,0]=3 574 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,0,0,1,0,0|2,0,1]=4 575 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,1,0,0|3,0,0]=4 576 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,1,0,0|2,0,1]=4 577 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,0|2,0,1]=4 578 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,1,0,0|3,0,0]=4 579 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,0|2,0,1]=4 580 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,1,0,0|2,0,1]=4 581 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,1,0,0|2,0,1]=4 582 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,0|2,0,1]=4 583 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,0,0,1,0,0|2,0,1]=4 584 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,0|2,0,1]=4 585 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,0|2,0,1]=4 586 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,0|2,0,1]=4 587 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,0|2,0,1]=4 588 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,0|2,0,1]=4 589 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,0|2,0,1]=4 590 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,1,0,0|2,0,1]=4 591 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,1,0,0|2,0,1]=4 592 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,1,0,0|2,0,1]=4 593 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,0|1,0,1]=3 594 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,1,0,0|2,0,1]=4 595 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,1,0,0|2,0,1]=4 596 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,0|1,0,1]=3 597 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,1,0,0|2,0,1]=4 598 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,1,0,0|2,0,1]=4 599 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,0|1,0,1]=3 600 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,1,0,0|2,0,0]=3 601 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,0|1,0,0]=2 602 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,0|1,0,0]=2 603 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,0|0,0,0]=1 604 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,0|1,0,0]=2 605 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,0|1,0,0]=2 606 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,0|1,0,0]=2 607 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,0|1,0,0]=2 608 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,1,0,0|2,0,1]=4 609 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,0|2,0,1]=4 610 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,0|1,0,1]=3 611 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [0,0,0,1,0,0|2,0,1]=4 612 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,0,0,1,0,0|2,0,1]=4 613 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,0|2,0,0]=3 614 B8R1.51 O=C1CCS(=O)(=O)C1 MCULE-8153139552 [0,0,0,1,0,0|2,0,1]=4 615 B8R1.51 O=C1CCS(=O)(=O)N1 MCULE-4505524753 [0,0,0,1,0,0|2,0,1]=4 616 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,0,0,1,0,0|1,0,1]=3 617 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,0,0,1,0,0|2,0,1]=4 618 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,0,0,1,0,0|2,0,1]=4 619 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,0,0,1,0,0|2,0,1]=4 620 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,0,0,1,0,0|2,0,1]=4 621 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,0,0,1,0,0|2,0,1]=4 622 B8R1.77 O=C(O)C1CC1(Br)Br MCULE-7358606014 [0,0,0,1,0,0|2,0,1]=4 623 B8R1.77 O=C(O)C1CC1(Cl)Cl MCULE-6063199100 [0,0,0,1,0,0|2,0,1]=4 624 B8R1.77 O=C(O)C1CC1(F)Cl MCULE-3259140974 [0,0,0,1,0,0|2,0,1]=4 625 B8R1.77 O=C(O)C1CC1(F)F MCULE-2294378507 [0,0,0,1,0,0|2,0,1]=4 626 B8R1.77 O=C(O)C1CC1(F)F MCULE-7749595525 [0,0,0,1,0,0|2,0,1]=4 627 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-1169025364 [0,0,0,1,0,0|2,0,1]=4 628 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-8477839387 [0,0,0,1,0,0|2,0,1]=4 629 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-4058307455 [0,0,0,1,0,0|2,0,1]=4 630 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-5570539448 [0,0,0,1,0,0|2,0,1]=4 631 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,1,0|3,0,0]=4 632 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,1,0|2,0,0]=3 633 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,1,0|2,0,0]=3 634 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,1,0|2,0,1]=4 635 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,1,0|2,0,1]=4 636 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,1,0|2,0,1]=4 637 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,1,0|2,0,1]=4 638 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,1,0|3,0,0]=4 639 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,1,0|2,0,1]=4 640 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,1,0|2,0,0]=3 641 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,1,0|2,0,0]=3 642 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,1,0|1,0,0]=2 643 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,1,0|1,0,1]=3 644 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,1,0|1,0,1]=3 645 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,1,0|2,0,1]=4 646 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,1,0|2,0,1]=4 647 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,1,0|3,0,0]=4 648 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,1,0|3,0,0]=4 649 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,1,0|3,0,0]=4 650 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,1,0|3,0,0]=4 651 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,1,0|2,0,1]=4 652 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,1,0|2,0,1]=4 653 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,1,0|2,0,1]=4 654 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,1,0|2,0,1]=4 655 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,1,0|2,0,1]=4 656 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,1,0|2,0,1]=4 657 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,1,0|2,0,1]=4 658 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,1,0|2,0,1]=4 659 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,1,0|2,0,1]=4 660 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,1,0|2,0,1]=4 661 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,1,0|2,0,1]=4 662 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,1,0|1,0,1]=3 663 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,1,0|1,0,1]=3 664 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,1,0|1,0,2]=4 665 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,1,0|1,0,2]=4 666 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,1,0|3,0,0]=4 667 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,1,0|3,0,0]=4 668 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,1,0|2,0,1]=4 669 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,1,0|2,0,1]=4 670 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,1,0|2,0,1]=4 671 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,1,0|2,0,1]=4 672 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,1,0|1,0,1]=3 673 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,1,0|1,0,1]=3 674 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,1,0|1,0,2]=4 675 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,1,0|1,0,2]=4 676 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,1,0|2,0,1]=4 677 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,1,0|2,0,1]=4 678 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,1,0|2,0,1]=4 679 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,1,0|2,0,1]=4 680 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,1,0|2,0,1]=4 681 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,1,0|2,0,1]=4 682 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,1,0|1,0,1]=3 683 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,1,0|1,0,1]=3 684 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,1,0|1,0,2]=4 685 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,1,0|1,0,2]=4 686 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,1,0|3,0,0]=4 687 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,1,0|3,0,0]=4 688 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,1,0|2,0,0]=3 689 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,1,0|1,0,0]=2 690 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,1,0|2,1,0]=4 691 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,1,0|2,0,1]=4 692 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,1,0|2,0,1]=4 693 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,1,0|3,0,0]=4 694 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,1,0|2,0,1]=4 695 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,1,0|2,0,1]=4 696 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,1,0|2,0,0]=3 697 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,1,0|2,0,1]=4 698 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,1,0|2,0,1]=4 699 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,1,0|1,0,1]=3 700 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,1,0|0,0,0]=1 701 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,1,0|2,0,1]=4 702 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,1,0|1,0,1]=3 703 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,1,0|0,0,2]=3 704 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,1,0|0,0,2]=3 705 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,0,0,0,1,0|1,0,2]=4 706 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,1|2,0,0]=3 707 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,1|2,0,0]=3 708 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,1|2,0,0]=3 709 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,1|2,0,0]=3 710 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,1|1,0,1]=3 711 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,0,0,0,0,1|3,0,0]=4 712 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,0,1|2,0,0]=3 713 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,1|2,0,0]=3 714 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,1|1,0,0]=2 715 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,0,1|2,0,0]=3 716 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,0,1|2,0,0]=3 717 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,1|2,0,0]=3 718 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,1|1,0,0]=2 719 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,0,0,0,0,1|3,0,0]=4 720 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,0,0,0,0,1|3,0,0]=4 721 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,1|1,0,0]=2 722 B8R0.28 CC(=O)OCOC(=O)C MCULE-9458993444 [0,0,0,0,0,1|3,0,0]=4 723 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,0,1|2,0,0]=3 724 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,1|1,0,0]=2 725 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,0,1|2,0,1]=4 726 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,0,0,0,0,1|2,0,1]=4 727 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,0,0,0,0,1|2,0,1]=4 728 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,0,0,0,0,1|2,0,1]=4 729 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,0,0,0,0,1|2,0,1]=4 730 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,0,0,0,0,1|2,0,1]=4 731 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,0,0,0,0,1|2,0,1]=4 732 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,0,0,0,0,1|2,0,1]=4 733 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,0,0,0,0,1|2,0,1]=4 734 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,1|1,0,1]=3 735 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,0,0,0,0,1|1,0,2]=4 736 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,0,1|3,0,0]=4 737 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,0,1|3,0,0]=4 738 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,1|2,0,0]=3 739 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,1|2,0,0]=3 740 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,1|2,0,0]=3 741 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,1|1,1,0]=3 742 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,0,1|2,0,0]=3 743 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,1|1,0,0]=2 744 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,0,0,0,0,1|2,0,1]=4 745 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,1|2,0,0]=3 746 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,1|1,0,0]=2 747 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,1|1,0,0]=2 748 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,0,1|2,0,0]=3 749 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,1|1,0,0]=2 750 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,1|1,0,2]=4 751 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,1|1,0,0]=2 752 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,0,0,0,1|3,0,0]=4 753 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,1|2,0,1]=4 754 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,1|1,1,0]=3 755 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,0,1|2,0,0]=3 756 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,0,0,0,1|2,0,0]=3 757 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,1|0,0,1]=2 758 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,1|0,0,1]=2 759 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,1|0,0,0]=1 760 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,0,0,0,0,1|2,0,1]=4 761 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,0,1|1,0,1]=3 762 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,1|0,0,0]=1 763 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,1|0,0,0]=1 764 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,0,0,0,0,1|2,0,1]=4 765 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,1|0,0,0]=1 766 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,0,1|0,0,2]=3 767 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,0,0,0,1|0,0,2]=3 768 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,1|0,0,1]=2 769 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,1|0,0,1]=2 770 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [0,0,0,0,0,1|0,2,0]=3 771 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,0,1|2,0,0]=3 772 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 773 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|1,0,1]=4 774 B5R0.1 C=C(Br)CCO MCULE-3743908958 [2,0,0,0,0,0|2,0,0]=4 775 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|2,0,0]=4 776 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [2,0,0,0,0,0|1,0,1]=4 777 B5R0.1 C=CCC(=O)N MCULE-1205335257 [2,0,0,0,0,0|1,0,1]=4 778 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,1]=3 779 B5R0.1 C=NCC(=O)N MCULE-7609497329 [2,0,0,0,0,0|2,0,0]=4 780 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|2,0,0]=4 781 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|2,0,0]=4 782 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|2,0,0]=4 783 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|2,0,0]=4 784 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|1,0,0]=3 785 B5R0.1 CC(=O)NCO MCULE-4563335540 [2,0,0,0,0,0|2,0,0]=4 786 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|1,0,1]=4 787 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|1,0,1]=4 788 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|1,0,1]=4 789 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,1]=4 790 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,1]=4 791 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,1]=4 792 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,1]=3 793 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,2]=4 794 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,2]=4 795 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,1]=4 796 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|1,0,1]=4 797 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|1,0,1]=4 798 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,1]=4 799 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|2,0,0]=4 800 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,1]=4 801 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|1,0,1]=4 802 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|1,0,1]=4 803 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|1,0,1]=4 804 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|1,0,1]=4 805 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|2,0,0]=4 806 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 807 B5R0.1 N=C(N)CCO MCULE-4567824707 [2,0,0,0,0,0|2,0,0]=4 808 B5R0.1 N=C(N)CCO MCULE-7139693715 [2,0,0,0,0,0|2,0,0]=4 809 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|2,0,0]=4 810 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|2,0,0]=4 811 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|1,0,0]=3 812 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|1,1,0]=4 813 B5R0.1 NC(=O)NCO MCULE-7403641101 [2,0,0,0,0,0|2,0,0]=4 814 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|2,0,0]=4 815 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|2,0,0]=4 816 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|2,0,0]=4 817 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,0]=3 818 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,0]=3 819 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,0]=3 820 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|1,0,1]=4 821 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|2,0,0]=4 822 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|2,0,0]=4 823 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|2,0,0]=4 824 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|2,0,0]=4 825 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 826 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 827 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 828 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 829 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 830 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 831 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [2,0,0,0,0,0|1,0,1]=4 832 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [2,0,0,0,0,0|1,0,1]=4 833 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [2,0,0,0,0,0|1,0,1]=4 834 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [2,0,0,0,0,0|1,0,1]=4 835 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [2,0,0,0,0,0|1,0,1]=4 836 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [2,0,0,0,0,0|1,0,1]=4 837 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [2,0,0,0,0,0|1,0,1]=4 838 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [2,0,0,0,0,0|1,0,1]=4 839 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [2,0,0,0,0,0|1,0,1]=4 840 B5R0.1 O=C(O)C=CI MCULE-7162332129 [2,0,0,0,0,0|1,0,1]=4 841 B5R0.1 O=C(O)C=NO MCULE-2039309679 [2,0,0,0,0,0|1,0,1]=4 842 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,0]=3 843 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,0]=3 844 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,0]=3 845 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,0]=3 846 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,0,0]=2 847 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|0,1,0]=3 848 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|1,0,0]=3 849 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|0,0,1]=3 850 B5R0.1 O=N(=O)CCO MCULE-2060841405 [2,0,0,0,0,0|1,0,1]=4 851 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|1,0,1]=4 852 B5R0.2 C=CCCC=C MCULE-2599309974 [2,0,0,0,0,0|2,0,0]=4 853 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|1,0,0]=3 854 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|1,0,1]=4 855 B5R0.2 C=CCNC=O MCULE-1911798514 [2,0,0,0,0,0|2,0,0]=4 856 B5R0.2 C=CCOC=O MCULE-4161785970 [2,0,0,0,0,0|2,0,0]=4 857 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|1,0,1]=4 858 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|2,0,0]=4 859 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|2,0,0]=4 860 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|1,0,1]=4 861 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|0,0,0]=2 862 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|0,0,0]=2 863 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,1]=4 864 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,1]=4 865 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,1]=4 866 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|0,0,1]=3 867 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|1,0,1]=4 868 B5R0.2 O=CNNC=O MCULE-7634212643 [2,0,0,0,0,0|2,0,0]=4 869 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|1,0,1]=4 870 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|0,0,2]=4 871 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|0,0,2]=4 872 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [1,1,0,0,0,0|1,0,1]=4 873 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|1,0,1]=4 874 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,1,0,0,0,0|1,0,0]=3 875 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,1,0,0,0,0|1,0,0]=3 876 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,1,0,0,0,0|1,0,0]=3 877 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,1,0,0,0,0|1,0,0]=3 878 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [1,1,0,0,0,0|0,0,2]=4 879 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [1,1,0,0,0,0|2,0,0]=4 880 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [1,1,0,0,0,0|2,0,0]=4 881 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,1,0,0,0,0|1,0,1]=4 882 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,1,0,0,0,0|1,0,1]=4 883 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,1,0,0,0,0|1,0,1]=4 884 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,1,0,0,0,0|1,0,1]=4 885 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,1,0,0,0,0|1,0,1]=4 886 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,1,0,0,0,0|1,0,1]=4 887 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|1,0,1]=4 888 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,1,0,0,0,0|1,0,1]=4 889 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,1,0,0,0,0|1,0,1]=4 890 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,1,0,0,0,0|1,0,1]=4 891 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,1,0,0,0,0|1,0,1]=4 892 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,1,0,0,0,0|1,0,1]=4 893 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,1,0,0,0,0|1,0,1]=4 894 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,1,0,0,0,0|1,0,1]=4 895 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,1,0,0,0,0|1,0,1]=4 896 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,1,0,0,0,0|1,0,1]=4 897 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,1,0,0,0,0|1,0,1]=4 898 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,1,0,0,0,0|1,0,1]=4 899 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,1,0,0,0,0|1,0,1]=4 900 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,1,0,0,0,0|1,0,0]=3 901 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [1,1,0,0,0,0|2,0,0]=4 902 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [1,1,0,0,0,0|2,0,0]=4 903 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [1,1,0,0,0,0|2,0,0]=4 904 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,1,0,0,0,0|2,0,0]=4 905 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [1,1,0,0,0,0|2,0,0]=4 906 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,1,0,0,0,0|1,0,1]=4 907 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,1,0,0,0,0|1,0,1]=4 908 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [1,1,0,0,0,0|1,0,1]=4 909 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,1,0,0,0,0|0,0,1]=3 910 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,1,0,0,0,0|0,0,1]=3 911 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,1,0,0,0,0|0,0,1]=3 912 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,1,0,0,0,0|1,0,1]=4 913 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,1,0,0,0,0|1,0,1]=4 914 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|1,0,1]=4 915 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,1,0,0,0,0|1,0,1]=4 916 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,1,0,0,0,0|1,0,1]=4 917 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|1,0,1]=4 918 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|1,0,1]=4 919 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,1,0,0,0,0|1,0,1]=4 920 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,1,0,0,0,0|1,0,1]=4 921 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|1,0,1]=4 922 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|1,0,1]=4 923 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,1,0,0,0,0|0,0,1]=3 924 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,1,0,0,0,0|0,0,1]=3 925 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,1,0,0,0,0|0,0,1]=3 926 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,1,0,0,0,0|0,0,1]=3 927 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [1,1,0,0,0,0|0,0,2]=4 928 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,1,0,0,0,0|0,0,1]=3 929 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,1,0,0,0,0|0,0,1]=3 930 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [1,1,0,0,0,0|0,0,2]=4 931 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [1,1,0,0,0,0|0,0,2]=4 932 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,1,0,0,0,0|1,0,0]=3 933 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [1,1,0,0,0,0|0,0,2]=4 934 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [1,1,0,0,0,0|1,0,1]=4 935 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|1,0,1]=4 936 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [1,1,0,0,0,0|2,0,0]=4 937 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [1,1,0,0,0,0|2,0,0]=4 938 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [1,1,0,0,0,0|2,0,0]=4 939 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [1,1,0,0,0,0|2,0,0]=4 940 B7R0.3 C=CCCC(=O)NN MCULE-1170308182 [1,1,0,0,0,0|2,0,0]=4 941 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [1,1,0,0,0,0|1,0,0]=3 942 B7R0.3 C=CCCC(=S)OC MCULE-4709907145 [1,1,0,0,0,0|1,1,0]=4 943 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [1,1,0,0,0,0|2,0,0]=4 944 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [1,1,0,0,0,0|2,0,0]=4 945 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|1,0,1]=4 946 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [1,1,0,0,0,0|1,0,1]=4 947 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [1,1,0,0,0,0|1,0,1]=4 948 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [1,1,0,0,0,0|2,0,0]=4 949 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [1,1,0,0,0,0|2,0,0]=4 950 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [1,1,0,0,0,0|0,0,2]=4 951 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [1,1,0,0,0,0|1,0,1]=4 952 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|0,0,0]=2 953 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [1,1,0,0,0,0|1,0,1]=4 954 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [1,1,0,0,0,0|1,0,1]=4 955 B7R0.3 COC(=O)CCCI MCULE-6607823615 [1,1,0,0,0,0|1,0,1]=4 956 B7R0.3 COC(=O)CCCN MCULE-2399653885 [1,1,0,0,0,0|1,0,1]=4 957 B7R0.3 COC(=O)CCCN MCULE-7745643244 [1,1,0,0,0,0|1,0,1]=4 958 B7R0.3 COC(=O)CCCO MCULE-6149839873 [1,1,0,0,0,0|0,0,1]=3 959 B7R0.3 COC(=O)CCCS MCULE-6897052882 [1,1,0,0,0,0|0,1,1]=4 960 B7R0.3 COC(=O)CCSC MCULE-8525618169 [1,1,0,0,0,0|2,0,0]=4 961 B7R0.3 COC(=O)CN=C=O MCULE-4495056254 [1,1,0,0,0,0|1,0,1]=4 962 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [1,1,0,0,0,0|1,0,0]=3 963 B7R0.3 COC(=O)NCCO MCULE-7141835204 [1,1,0,0,0,0|1,0,1]=4 964 B7R0.3 COCCC(=O)OC MCULE-5918489580 [1,1,0,0,0,0|2,0,0]=4 965 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [1,1,0,0,0,0|1,0,1]=4 966 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,1,0,0,0,0|1,0,1]=4 967 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,1,0,0,0,0|1,0,1]=4 968 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,1,0,0,0,0|1,0,1]=4 969 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,1,0,0,0,0|1,0,1]=4 970 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,1,0,0,0,0|1,0,1]=4 971 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,1,0,0,0,0|1,0,1]=4 972 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|1,0,1]=4 973 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|1,0,0]=3 974 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,1,0,0,0,0|2,0,0]=4 975 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|1,0,0]=3 976 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [1,1,0,0,0,0|2,0,0]=4 977 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [1,1,0,0,0,0|2,0,0]=4 978 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|1,0,0]=3 979 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|1,0,0]=3 980 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|1,0,0]=3 981 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|1,0,0]=3 982 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,1,0,0,0,0|1,0,1]=4 983 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [1,1,0,0,0,0|2,0,0]=4 984 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|1,0,1]=4 985 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,1,0,0,0,0|1,0,0]=3 986 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,1,0,0,0,0|1,0,1]=4 987 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,1,0,0,0,0|1,0,1]=4 988 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,1,0,0,0,0|1,0,0]=3 989 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|1,0,1]=4 990 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|1,0,0]=3 991 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|1,0,1]=4 992 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,1,0,0,0,0|1,0,1]=4 993 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|1,0,1]=4 994 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|1,0,1]=4 995 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|1,0,1]=4 996 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|1,0,1]=4 997 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|1,0,1]=4 998 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|1,0,1]=4 999 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,1,0,0,0,0|1,0,1]=4 1000 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|1,0,1]=4 1001 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|1,0,1]=4 1002 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|1,0,1]=4 1003 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|1,0,1]=4 1004 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|0,0,1]=3 1005 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,1,0,0,0,0|0,1,1]=4 1006 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,1,0,0,0,0|1,1,0]=4 1007 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,1,0,0,0,0|1,0,1]=4 1008 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,1,0,0,0,0|1,0,1]=4 1009 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,1,0,0,0,0|2,0,0]=4 1010 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,1,0,0,0,0|1,0,1]=4 1011 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,1,0,0,0,0|1,0,1]=4 1012 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,1,0,0,0,0|1,0,1]=4 1013 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,1,0,0,0,0|1,0,1]=4 1014 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|1,0,1]=4 1015 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|1,0,1]=4 1016 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|1,0,1]=4 1017 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|1,0,1]=4 1018 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|1,0,1]=4 1019 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|1,0,1]=4 1020 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|1,0,1]=4 1021 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|1,0,1]=4 1022 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|1,0,1]=4 1023 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|1,0,1]=4 1024 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|0,0,1]=3 1025 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|0,0,1]=3 1026 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,1,0,0,0,0|0,0,2]=4 1027 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|1,0,0]=3 1028 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,1,0,0,0,0|1,0,1]=4 1029 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,1,0,0,0,0|1,0,1]=4 1030 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|0,0,1]=3 1031 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,1,0,0,0,0|0,1,1]=4 1032 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|0,0,1]=3 1033 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|1,0,1]=4 1034 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|1,0,1]=4 1035 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|1,0,1]=4 1036 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|0,0,1]=3 1037 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|1,0,1]=4 1038 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|0,0,1]=3 1039 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,1,0,0,0,0|0,0,2]=4 1040 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,1,0,0,0,0|0,0,2]=4 1041 B7R0.4 O=C=NCCC(=O)Cl MCULE-4830401558 [1,1,0,0,0,0|1,0,1]=4 1042 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|0,0,0]=2 1043 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,1,0,0,0,0|1,0,1]=4 1044 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [1,1,0,0,0,0|1,0,1]=4 1045 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,1,0,0,0,0|1,0,1]=4 1046 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,1,0,0,0,0|1,0,1]=4 1047 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,1,0,0,0,0|1,0,1]=4 1048 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,1,0,0,0,0|1,0,1]=4 1049 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,1,0,0,0,0|1,0,1]=4 1050 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,1,0,0,0,0|1,0,1]=4 1051 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,1,0,0,0,0|1,0,1]=4 1052 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,1,0,0,0,0|1,0,1]=4 1053 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,1,0,0,0,0|1,0,1]=4 1054 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,1,0,0,0,0|1,0,1]=4 1055 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,1,0,0,0,0|1,0,1]=4 1056 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,1,0,0,0,0|1,0,1]=4 1057 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,1,0,0,0,0|1,0,1]=4 1058 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,1,0,0,0,0|0,0,2]=4 1059 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [1,1,0,0,0,0|2,0,0]=4 1060 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,1,0,0,0,0|1,0,0]=3 1061 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,1,0,0,0,0|1,0,0]=3 1062 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,1,0,0,0,0|1,0,0]=3 1063 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,1,0,0,0,0|1,0,0]=3 1064 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,1,0,0,0,0|1,0,0]=3 1065 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,1,0,0,0,0|1,0,0]=3 1066 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,1,0,0,0,0|1,0,0]=3 1067 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,1,0,0,0,0|1,0,0]=3 1068 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,1,0,0,0,0|1,0,0]=3 1069 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,1,0,0,0,0|1,0,0]=3 1070 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,1,0,0,0,0|1,0,0]=3 1071 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,1,0,0,0,0|1,0,0]=3 1072 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,1,0,0,0,0|1,0,0]=3 1073 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,1,0,0,0,0|1,0,0]=3 1074 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,1,0,0,0,0|1,0,0]=3 1075 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,1,0,0,0,0|1,0,0]=3 1076 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,1,0,0,0,0|1,0,1]=4 1077 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,1,0,0,0,0|1,0,1]=4 1078 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,1,0,0,0,0|1,0,1]=4 1079 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,1,0,0,0,0|1,0,1]=4 1080 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,1,0,0,0,0|1,0,1]=4 1081 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,1,0,0,0,0|0,0,1]=3 1082 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,1,0,0,0,0|0,0,2]=4 1083 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,1,0,0,0,0|1,0,0]=3 1084 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,1,0,0,0,0|1,0,1]=4 1085 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,1,0,0,0,0|1,0,1]=4 1086 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,1,0,0,0,0|1,0,1]=4 1087 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,1,0,0,0,0|1,0,1]=4 1088 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,1,0,0,0,0|1,0,1]=4 1089 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,1,0,0,0,0|1,0,1]=4 1090 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,1,0,0,0,0|1,0,1]=4 1091 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,1,0,0,0,0|1,0,1]=4 1092 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,1,0,0,0,0|1,0,1]=4 1093 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|1,0,1]=4 1094 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|1,0,1]=4 1095 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,1,0,0,0,0|1,0,1]=4 1096 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,1,0,0,0,0|1,0,1]=4 1097 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|1,0,1]=4 1098 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,1,0,0,0,0|1,0,1]=4 1099 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,1,0,0,0,0|1,0,1]=4 1101 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,1,0,0,0,0|1,0,1]=4 1102 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|1,0,1]=4 1103 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|1,0,1]=4 1104 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,1,0,0,0,0|2,0,0]=4 1105 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,1,0,0,0,0|2,0,0]=4 1106 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,1,0,0,0,0|2,0,0]=4 1107 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,1,0,0,0,0|2,0,0]=4 1108 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,1,0,0,0,0|2,0,0]=4 1109 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,1,0,0,0,0|2,0,0]=4 1110 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,1,0,0,0,0|2,0,0]=4 1111 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,1,0,0,0,0|2,0,0]=4 1112 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,1,0,0,0,0|2,0,0]=4 1113 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,1,0,0,0,0|2,0,0]=4 1114 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,1,0,0,0,0|2,0,0]=4 1115 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,1,0,0,0,0|2,0,0]=4 1116 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,1,0,0,0,0|2,0,0]=4 1117 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,1,0,0,0,0|2,0,0]=4 1118 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,1,0,0,0,0|2,0,0]=4 1119 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,1,0,0,0,0|2,0,0]=4 1120 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,1,0,0,0,0|2,0,0]=4 1121 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,1,0,0,0,0|2,0,0]=4 1122 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,1,0,0,0,0|2,0,0]=4 1123 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,1,0,0,0,0|2,0,0]=4 1124 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,1,0,0,0,0|2,0,0]=4 1125 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,1,0,0,0,0|2,0,0]=4 1126 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,1,0,0,0,0|2,0,0]=4 1127 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,1,0,0,0,0|2,0,0]=4 1128 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,1,0,0,0,0|2,0,0]=4 1129 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,1,0,0,0,0|2,0,0]=4 1130 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,1,0,0,0,0|2,0,0]=4 1131 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,1,0,0,0,0|2,0,0]=4 1132 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,1,0,0,0,0|0,1,1]=4 1133 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,1,0,0,0,0|1,0,0]=3 1134 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,1,0,0,0,0|1,0,0]=3 1135 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,1,0,0,0,0|2,0,0]=4 1136 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,1,0,0,0,0|2,0,0]=4 1137 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,1,0,0,0,0|2,0,0]=4 1138 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,1,0,0,0,0|2,0,0]=4 1139 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,1,0,0,0,0|2,0,0]=4 1140 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,1,0,0,0,0|2,0,0]=4 1141 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,1,0,0,0,0|1,0,1]=4 1142 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,1,0,0,0,0|1,0,1]=4 1143 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,1,0,0,0,0|1,0,1]=4 1144 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,1,0,0,0,0|1,0,1]=4 1145 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,1,0,0,0,0|1,0,1]=4 1146 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,1,0,0,0,0|1,0,1]=4 1147 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,1,0,0,0,0|1,0,1]=4 1148 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,1,0,0,0,0|0,0,1]=3 1149 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,1,0,0,0,0|0,0,1]=3 1150 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,1,0,0,0,0|0,1,1]=4 1151 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,1,0,0,0,0|0,1,1]=4 1152 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,1,0,0,0,0|1,0,0]=3 1153 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,1,0,0,0,0|1,0,1]=4 1154 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,1,0,0,0,0|1,0,1]=4 1155 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,1,0,0,0,0|1,0,1]=4 1156 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,1,0,0,0,0|1,0,1]=4 1157 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,1,0,0,0,0|1,0,1]=4 1158 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,1,0,0,0,0|1,0,1]=4 1159 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,1,0,0,0,0|1,0,1]=4 1160 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,1,0,0,0,0|1,0,1]=4 1161 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,1,0,0,0,0|1,0,1]=4 1162 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|1,0,1]=4 1163 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,1,0,0,0,0|1,0,1]=4 1165 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,1,0,0,0,0|1,0,1]=4 1166 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,1,0,0,0,0|1,0,1]=4 1167 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,1,0,0,0,0|1,0,1]=4 1168 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|1,0,1]=4 1169 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,1,0,0,0,0|1,0,1]=4 1170 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,1,0,0,0,0|1,0,1]=4 1171 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,1,0,0,0,0|1,0,1]=4 1172 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,1,0,0,0,0|1,0,1]=4 1173 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,1,0,0,0,0|1,0,1]=4 1174 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,1,0,0,0,0|1,0,1]=4 1175 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,1,0,0,0,0|1,0,1]=4 1176 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,1,0,0,0,0|1,0,1]=4 1177 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,1,0,0,0,0|1,0,1]=4 1178 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|1,0,1]=4 1179 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|1,0,1]=4 1180 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,1,0,0,0,0|2,0,0]=4 1181 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,1,0,0,0,0|1,0,1]=4 1182 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,1,0,0,0,0|1,0,1]=4 1183 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,1,0,0,0,0|1,0,1]=4 1184 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,1,0,0,0,0|1,0,1]=4 1185 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,1,0,0,0,0|0,0,1]=3 1186 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,1,0,0,0,0|0,0,1]=3 1187 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,1,0,0,0,0|0,1,1]=4 1188 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,1,0,0,0,0|0,1,1]=4 1189 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,1,0,0,0,0|1,1,0]=4 1190 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,1,0,0,0,0|1,0,1]=4 1191 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,1,0,0,0,0|0,0,1]=3 1193 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,1,0,0,0,0|0,0,1]=3 1194 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,1,0,0,0,0|0,1,1]=4 1195 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,1,0,0,0,0|0,1,1]=4 1196 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,1,0,0,0,0|1,0,1]=4 1197 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|0,0,1]=3 1198 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,1,0,0,0,0|1,0,1]=4 1199 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [1,1,0,0,0,0|1,0,1]=4 1200 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [1,1,0,0,0,0|1,0,1]=4 1201 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,1,0|1,0,1]=4 1202 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,1,0|1,0,1]=4 1203 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,1,0|1,0,1]=4 1204 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,1,0|1,0,0]=3 1205 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,1,0|1,0,0]=3 1206 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,1,0|0,0,1]=3 1207 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,1,0|2,0,0]=4 1208 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,1,0|2,0,0]=4 1209 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,1,0|2,0,0]=4 1210 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,1,0|2,0,0]=4 1211 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,1,0|2,0,0]=4 1212 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,1,0|2,0,0]=4 1213 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,1,0|2,0,0]=4 1214 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,1,0|2,0,0]=4 1215 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,1,0|2,0,0]=4 1216 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,1,0|2,0,0]=4 1217 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,1,0|2,0,0]=4 1218 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,1,0|2,0,0]=4 1219 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,1,0|2,0,0]=4 1220 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,1,0|2,0,0]=4 1221 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,1,0,0,1,0|2,0,0]=4 1222 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,1,0|2,0,0]=4 1223 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,1,0|0,0,0]=2 1224 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,1,0,0,1,0|0,0,2]=4 1225 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,1,0,0,1,0|0,0,2]=4 1226 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,1,0|1,0,1]=4 1227 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,1,0|1,0,1]=4 1228 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,1,0|1,0,1]=4 1229 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,1,0|1,0,1]=4 1230 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,1,0|1,0,1]=4 1231 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,1,0|1,0,1]=4 1232 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,1,0|1,0,1]=4 1233 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,1,0|1,0,1]=4 1234 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,1,0|1,0,1]=4 1235 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,1,0|1,0,1]=4 1236 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,1,0|1,0,1]=4 1237 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,1,0|1,0,1]=4 1238 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,1,0|1,0,1]=4 1239 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,1,0|1,0,1]=4 1240 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,1,0|1,0,1]=4 1241 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,1,0|1,0,1]=4 1242 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,1,0|1,0,1]=4 1243 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,1,0|1,0,1]=4 1244 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,1,0|1,0,1]=4 1245 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,1,0|1,0,1]=4 1246 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,1,0|2,0,0]=4 1247 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,1,0|2,0,0]=4 1248 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,1,0|0,0,0]=2 1249 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,1,0|0,0,1]=3 1250 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,1,0|0,0,0]=2 1251 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,1,0|0,0,0]=2 1252 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,1,0|0,0,0]=2 1253 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,1,0,0,0,1|2,0,0]=4 1254 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [0,1,0,0,0,1|1,0,0]=3 1255 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [0,1,0,0,0,1|2,0,0]=4 1256 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,1,0,0,0,1|1,0,0]=3 1257 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,1,0,0,0,1|1,0,0]=3 1258 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [0,1,0,0,0,1|2,0,0]=4 1259 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,1,0,0,0,1|1,0,0]=3 1260 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,1,0,0,0,1|1,0,0]=3 1261 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [0,1,0,0,0,1|1,0,0]=3 1262 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,1,0,0,0,1|1,0,0]=3 1263 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [0,1,0,0,0,1|1,0,0]=3 1264 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,1,0,0,0,1|0,0,0]=2 1265 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [0,1,0,0,0,1|1,1,0]=4 1266 B9R0.1 COC(=O)CCCN(=O)=O MCULE-6885475719 [0,1,0,0,0,1|1,0,1]=4 1267 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,1,0,0,0,1|1,0,0]=3 1268 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [0,1,0,0,0,1|1,0,0]=3 1269 B9R0.1 COC(=O)CCON(=O)=O MCULE-8546508385 [0,1,0,0,0,1|1,0,1]=4 1270 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,1,0,0,0,1|0,0,0]=2 1271 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,1,0,0,0,1|1,0,0]=3 1272 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,1,0,0,0,1|0,0,0]=2 1273 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [0,1,0,0,0,1|1,0,0]=3 1274 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,1,0,0,0,1|0,0,0]=2 1275 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,1,0,0,0,1|0,0,0]=2 1276 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,1,0,0,0,1|1,0,0]=3 1277 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,1,0,0,0,1|1,0,0]=3 1278 B9R0.1 NCC(=O)NCCC(=O)N MCULE-3860393064 [0,1,0,0,0,1|2,0,0]=4 1279 B9R0.1 NCC(=O)NCCC(=O)N MCULE-8788981043 [0,1,0,0,0,1|2,0,0]=4 1280 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,1,0,0,0,1|2,0,0]=4 1281 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,1,0,0,0,1|0,0,2]=4 1282 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,1,0,0,0,1|1,0,0]=3 1283 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,1,0,0,0,1|1,0,0]=3 1284 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,1,0,0,0,1|0,0,0]=2 1285 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,0,0,0,1|0,0,1]=3 1286 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,1|0,0,0]=2 1287 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,1,0,0,0,1|2,0,0]=4 1288 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,1,0,0,0,1|2,0,0]=4 1289 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,1,0,0,0,1|2,0,0]=4 1290 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,0,1|1,0,0]=3 1291 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,1,0,0,0,1|1,0,1]=4 1292 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,0,1|1,0,0]=3 1293 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,0,1|1,0,0]=3 1294 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,0,1|1,0,0]=3 1295 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,0,1|1,0,0]=3 1296 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,0,1|1,0,0]=3 1297 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,0,1|1,0,0]=3 1298 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,0,1|1,0,0]=3 1299 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,0,1|1,0,0]=3 1300 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,0,1|1,0,0]=3 1301 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,0,1|1,0,0]=3 1302 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,0,1|1,0,0]=3 1303 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,0,1|1,0,0]=3 1304 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,0,1|1,0,0]=3 1305 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [0,1,0,0,0,1|2,0,0]=4 1306 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,0,0,0,1|1,0,0]=3 1307 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,0,1|1,0,0]=3 1308 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,0,1|1,0,0]=3 1309 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,0,0,0,1|1,0,0]=3 1310 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,0,0,0,1|1,0,0]=3 1311 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,0,1|1,0,0]=3 1312 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,0,1|1,0,0]=3 1313 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,1|0,0,0]=2 1314 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,1|0,0,0]=2 1315 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,1,0,0,0,1|1,0,0]=3 1316 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,0,1|0,0,0]=2 1317 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,0,1|0,0,0]=2 1318 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,0,1|0,0,0]=2 1319 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,1|2,0,0]=4 1320 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,1|2,0,0]=4 1321 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,1|2,0,0]=4 1322 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,1|2,0,0]=4 1323 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,1|2,0,0]=4 1324 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,1|2,0,0]=4 1325 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,1|0,0,0]=2 1326 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,1|0,0,0]=2 1327 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,1|0,0,0]=2 1328 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,1,0,0,0,1|1,0,1]=4 1329 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,0,1|0,0,0]=2 1330 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,0,1|0,0,0]=2 1331 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,1,0,0,0,1|2,0,0]=4 1332 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,1,0,0,0,1|2,0,0]=4 1333 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,1,0,0,0,1|2,0,0]=4 1334 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,1,0,0,0,1|2,0,0]=4 1335 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,1,0,0,0,1|2,0,0]=4 1336 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,1,0,0,0,1|2,0,0]=4 1337 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,1,0,0,0,1|2,0,0]=4 1338 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,1,0,0,0,1|2,0,0]=4 1339 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,1|1,0,0]=3 1340 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,1|1,0,0]=3 1341 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,0,1|1,0,0]=3 1342 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,1,0,0,0,1|2,0,0]=4 1343 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,1,0,0,0,1|2,0,0]=4 1344 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,1,0,0,0,1|2,0,0]=4 1345 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,1,0,0,0,1|2,0,0]=4 1346 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,0,1|1,0,0]=3 1347 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,0,1|1,0,0]=3 1348 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,1,0,0,0,1|2,0,0]=4 1349 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,1,0,0,0,1|2,0,0]=4 1350 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,1,0,0,0,1|2,0,0]=4 1351 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,1,0,0,0,1|2,0,0]=4 1352 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,0,1|1,0,0]=3 1353 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,0,1|1,0,0]=3 1354 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,0,0,0,1|1,0,0]=3 1355 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,0,0,0,1|1,0,0]=3 1356 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,0,0,0,1|1,0,0]=3 1357 B9R0.7 NC(=O)NC[C@H]([NH3+])C(=O)[O-] MCULE-2674726108 [0,1,0,0,0,1|1,0,1]=4 1358 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,0,0,0,1|1,0,0]=3 1359 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,0,0,0,1|1,0,0]=3 1360 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,0,0,0,1|1,0,0]=3 1361 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,1|1,0,0]=3 1362 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,1|1,0,0]=3 1363 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,1|1,0,0]=3 1364 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,1|1,0,0]=3 1365 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,1|1,0,0]=3 1366 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,1|1,0,0]=3 1367 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,1|0,0,0]=2 1368 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,1|0,0,0]=2 1369 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,1|0,0,0]=2 1370 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,0,0,0,1|0,0,1]=3 1371 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,1|0,0,0]=2 1372 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,1|0,0,0]=2 1373 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,1|0,0,0]=2 1374 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,1|0,0,0]=2 1375 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,1|0,0,0]=2 1376 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,0,0,0,1|0,0,1]=3 1377 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,0,0,0,1|0,0,2]=4 1378 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,0,0,0,1|0,0,1]=3 1379 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,0,0,0,1|0,0,1]=3 1380 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,1|0,0,0]=2 1381 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,1|0,0,0]=2 1382 B9R0.7 O=C(O)CCC(=C(F)F)F MCULE-4570016016 [0,1,0,0,0,1|2,0,0]=4 1383 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,1|0,0,0]=2 1384 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,1|0,0,1]=3 1385 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,1|0,0,0]=2 1386 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,1|0,0,0]=2 1387 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,1|0,0,0]=2 1388 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,1|0,0,0]=2 1389 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,1|0,0,0]=2 1390 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,1|0,0,0]=2 1391 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,1|0,0,0]=2 1392 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,1|0,0,0]=2 1393 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,0,1|0,0,1]=3 1394 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,0,0,0,1|0,0,1]=3 1395 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-2857630880 [0,1,0,0,0,1|0,0,2]=4 1396 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-7607570800 [0,1,0,0,0,1|0,0,2]=4 1397 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,1,0,0,0,1|0,0,2]=4 1398 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,1,0,0,0,1|0,0,2]=4 1399 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,1,0,0,0,1|0,0,2]=4 1400 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,1,0,0,0,1|0,0,2]=4 1401 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,1,0,0,0,1|0,0,2]=4 1402 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,1,0,0,0,1|0,0,2]=4 1403 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,1,0,0,0,1|0,0,2]=4 1404 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,0,0,0,1|1,0,0]=3 1405 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,1|1,0,0]=3 1406 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,1|0,0,0]=2 1407 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,1|2,0,0]=4 1408 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,1|0,0,0]=2 1409 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,1,0,0,0,1|0,0,2]=4 1410 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,1,0,0,0,1|0,0,1]=3 1411 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,1,0,0,0,1|0,0,1]=3 1412 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,1,0,0,0,1|1,0,0]=3 1413 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [0,1,0,0,0,1|2,0,0]=4 1414 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,1,0,0,0,1|0,0,0]=2 1415 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,1,0,0,0,1|1,0,0]=3 1416 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,1,0,0,0,1|0,0,0]=2 1417 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,1,0,0,0,1|0,0,0]=2 1418 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,0,0,0,1|0,0,0]=2 1419 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,0,0,0,1|0,0,0]=2 1420 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,1,0,0,0,1|0,0,0]=2 1421 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,1,0,0,0,1|0,0,1]=3 1422 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,1,0,0,0,1|0,0,0]=2 1423 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,1,0,0,0,1|0,0,0]=2 1424 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,1,0,0,0,1|0,0,0]=2 1425 B9R0.56 CC(=O)NCCS(=O)(=O)O MCULE-4053951959 [0,1,0,0,0,1|2,0,0]=4 1426 B9R0.56 CC(=O)SCCS(=O)(=O)O MCULE-4519705338 [0,1,0,0,0,1|2,0,0]=4 1427 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,1,0,0,0,1|1,0,1]=4 1428 B9R0.56 CS(=O)(=O)NCCC(=O)O MCULE-7823027792 [0,1,0,0,0,1|1,0,1]=4 1429 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [0,1,0,0,0,1|2,0,0]=4 1430 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [0,1,0,0,0,1|1,0,1]=4 1431 B9R0.56 NS(=O)(=O)NCCC(=O)O MCULE-7564527970 [0,1,0,0,0,1|1,0,1]=4 1432 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [0,1,0,0,0,1|1,0,0]=3 1433 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [0,1,0,0,0,1|1,0,0]=3 1434 B9R0.56 O=C([O-])CNCP(=O)(O)O MCULE-8648426476 [0,1,0,0,0,1|1,0,1]=4 1435 B9R0.21 COC(=O)CCS(=O)(=O)C MCULE-4450384265 [0,2,0,0,0,0|1,0,1]=4 1436 B9R0.21 COC(=O)CCS(=O)(=O)Cl MCULE-9750988258 [0,2,0,0,0,0|1,0,1]=4 1437 B9R0.21 COC(=O)CCS(=O)(=O)F MCULE-9045673816 [0,2,0,0,0,0|1,0,1]=4 1438 B9R0.21 COC(=O)CCS(=O)(=O)N MCULE-6764009838 [0,2,0,0,0,0|1,0,1]=4 1439 B9R0.21 O=C(CO)COP(=O)(O)O MCULE-3352535301 [0,2,0,0,0,0|2,0,0]=4 1440 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,2,0,0,0,0|0,0,0]=2 1441 B9R0.23 C=C(C)CC(N)C(=O)OC MCULE-2770411625 [0,2,0,0,0,0|2,0,0]=4 1442 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,2,0,0,0,0|0,0,1]=3 1443 B9R0.23 C=CC(=O)N(C)CC(=O)O MCULE-9771391783 [0,2,0,0,0,0|2,0,0]=4 1444 B9R0.23 CCC(=O)N(C)CC(=O)O MCULE-1259899510 [0,2,0,0,0,0|2,0,0]=4 1445 B9R0.23 CN(CC(=O)O)C(=O)CCl MCULE-5510442150 [0,2,0,0,0,0|2,0,0]=4 1446 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,2,0,0,0,0|2,0,0]=4 1447 B9R0.23 COC(=O)/C(=C/C(=O)O)/Br MCULE-9236300450 [0,2,0,0,0,0|0,0,2]=4 1448 B9R0.23 COC(=O)C(=CC(=O)O)Br MCULE-7067392588 [0,2,0,0,0,0|0,0,2]=4 1449 B9R0.23 COC(=O)C(=O)CC(=O)C MCULE-8074026108 [0,2,0,0,0,0|1,0,1]=4 1450 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [0,2,0,0,0,0|1,0,0]=3 1451 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,2,0,0,0,0|0,0,0]=2 1452 B9R0.23 COC(=O)C(C)CS(=O)[O-] MCULE-6308173188 [0,2,0,0,0,0|1,0,1]=4 1453 B9R0.23 COC(=O)C(C)CS(=O)[O-] MCULE-6522031658 [0,2,0,0,0,0|1,0,1]=4 1454 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-7499205437 [0,2,0,0,0,0|2,0,0]=4 1455 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-9931125485 [0,2,0,0,0,0|2,0,0]=4 1456 B9R0.23 COC(=O)C(C)OC(=O)C MCULE-7908136641 [0,2,0,0,0,0|2,0,0]=4 1457 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [0,2,0,0,0,0|1,0,0]=3 1458 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [0,2,0,0,0,0|1,0,0]=3 1459 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,2,0,0,0,0|0,0,0]=2 1460 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,2,0,0,0,0|1,0,0]=3 1461 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,2,0,0,0,0|0,0,0]=2 1462 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-3683972950 [0,2,0,0,0,0|2,0,0]=4 1463 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-9078107491 [0,2,0,0,0,0|2,0,0]=4 1464 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [0,2,0,0,0,0|1,0,0]=3 1465 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [0,2,0,0,0,0|1,0,0]=3 1466 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [0,2,0,0,0,0|1,0,0]=3 1467 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [0,2,0,0,0,0|1,0,0]=3 1468 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,2,0,0,0,0|0,0,0]=2 1469 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,2,0,0,0,0|0,0,0]=2 1470 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,2,0,0,0,0|0,0,0]=2 1471 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,2,0,0,0,0|0,0,0]=2 1472 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9272877417 [0,2,0,0,0,0|2,0,0]=4 1473 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9675191541 [0,2,0,0,0,0|2,0,0]=4 1474 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-7231856462 [0,2,0,0,0,0|2,0,0]=4 1475 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-9967813219 [0,2,0,0,0,0|2,0,0]=4 1476 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [0,2,0,0,0,0|1,0,0]=3 1477 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [0,2,0,0,0,0|1,0,0]=3 1478 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [0,2,0,0,0,0|1,0,0]=3 1479 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [0,2,0,0,0,0|1,0,0]=3 1480 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,2,0,0,0,0|0,0,0]=2 1481 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,2,0,0,0,0|0,0,0]=2 1482 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,2,0,0,0,0|0,0,0]=2 1483 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,2,0,0,0,0|0,0,0]=2 1484 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,2,0,0,0,0|0,0,0]=2 1485 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [0,2,0,0,0,0|1,0,0]=3 1486 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,2,0,0,0,0|0,0,2]=4 1487 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,2,0,0,0,0|0,0,2]=4 1488 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,2,0,0,0,0|0,0,0]=2 1489 B9R0.24 C(=C\C(=O)OC)\C(=O)OC MCULE-9787020384 [0,2,0,0,0,0|0,0,2]=4 1490 B9R0.24 CC(=NO)CCC(=NO)C MCULE-6922851894 [0,2,0,0,0,0|2,0,0]=4 1491 B9R0.24 CCC(=O)CCC(=O)CC MCULE-8095896851 [0,2,0,0,0,0|2,0,0]=4 1492 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [0,2,0,0,0,0|1,0,0]=3 1493 B9R0.24 CNC(=O)CCC(=O)NC MCULE-1963512948 [0,2,0,0,0,0|2,0,0]=4 1494 B9R0.24 COC(=O)/C=C/C(=O)OC MCULE-4208733984 [0,2,0,0,0,0|0,0,2]=4 1495 B9R0.24 COC(=O)/N=N/C(=O)OC MCULE-3672642911 [0,2,0,0,0,0|2,0,0]=4 1496 B9R0.24 COC(=O)C#CC(=O)OC MCULE-2522916991 [0,2,0,0,0,0|0,0,2]=4 1497 B9R0.24 COC(=O)C=CC(=O)OC MCULE-8277820773 [0,2,0,0,0,0|0,0,2]=4 1498 B9R0.24 COC(=O)CCC(=O)CBr MCULE-7044639446 [0,2,0,0,0,0|1,0,0]=3 1499 B9R0.24 COC(=O)CCC(=O)CCl MCULE-4430497907 [0,2,0,0,0,0|1,0,0]=3 1500 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,2,0,0,0,0|1,0,0]=3 1501 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,2,0,0,0,0|1,0,0]=3 1502 B9R0.24 COC(=O)CCC(=O)OC MCULE-1133524094 [0,2,0,0,0,0|0,0,0]=2 1503 B9R0.24 COC(=O)CCS(=O)OC MCULE-1471943569 [0,2,0,0,0,0|1,0,0]=3 1504 B9R0.24 COC(=O)CNC(=O)CCl MCULE-6457273538 [0,2,0,0,0,0|2,0,0]=4 1505 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,2,0,0,0,0|2,0,0]=4 1506 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.24 COC(=O)CNC(=O)OC MCULE-1305795476 [0,2,0,0,0,0|1,0,0]=3 1508 B9R0.24 COC(=O)N=NC(=O)OC MCULE-9355928501 [0,2,0,0,0,0|2,0,0]=4 1509 B9R0.24 COC(=O)NNC(=O)OC MCULE-3681044847 [0,2,0,0,0,0|2,0,0]=4 1510 B9R0.24 NNC(=O)CCC(=O)NN MCULE-8748988406 [0,2,0,0,0,0|2,0,0]=4 1511 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,2,0,0,0,0|0,0,0]=2 1512 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [0,2,0,0,0,0|1,0,1]=4 1513 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,2,0,0,0,0|0,0,1]=3 1514 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [0,2,0,0,0,0|2,0,0]=4 1515 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,2,0,0,0,0|1,0,1]=4 1516 B9R0.42 CC(NC(=O)CCl)C(=O)O MCULE-6899086052 [0,2,0,0,0,0|2,0,0]=4 1517 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,2,0,0,0,0|2,0,0]=4 1518 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,2,0,0,0,0|1,0,0]=3 1519 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,2,0,0,0,0|1,0,0]=3 1520 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [0,2,0,0,0,0|2,0,0]=4 1521 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [0,2,0,0,0,0|2,0,0]=4 1522 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,2,0,0,0,0|1,0,0]=3 1523 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,2,0,0,0,0|1,0,0]=3 1524 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,2,0,0,0,0|1,0,0]=3 1525 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,2,0,0,0,0|1,0,0]=3 1526 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,2,0,0,0,0|1,0,0]=3 1527 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,2,0,0,0,0|1,0,0]=3 1528 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,2,0,0,0,0|0,0,1]=3 1529 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [0,2,0,0,0,0|1,0,0]=3 1530 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,2,0,0,0,0|0,0,0]=2 1531 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,2,0,0,0,0|0,0,0]=2 1532 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,2,0,0,0,0|0,0,0]=2 1533 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,2,0,0,0,0|0,0,0]=2 1534 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,2,0,0,0,0|0,0,0]=2 1535 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,2,0,0,0,0|0,0,0]=2 1536 B9R0.42 COC(=O)CN(C)C(=O)Cl MCULE-2845541726 [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [0,2,0,0,0,0|1,0,0]=3 1538 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,2,0,0,0,0|0,0,0]=2 1539 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,2,0,0,0,0|0,0,0]=2 1540 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,2,0,0,0,0|0,0,0]=2 1541 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,2,0,0,0,0|0,0,0]=2 1542 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,2,0,0,0,0|0,0,0]=2 1543 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,2,0,0,0,0|0,0,0]=2 1544 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,2,0,0,0,0|0,0,0]=2 1545 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,2,0,0,0,0|0,0,0]=2 1546 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,2,0,0,0,0|0,0,0]=2 1547 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,2,0,0,0,0|0,0,0]=2 1548 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,2,0,0,0,0|0,0,0]=2 1549 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,2,0,0,0,0|0,0,0]=2 1550 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,2,0,0,0,0|0,0,0]=2 1551 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,2,0,0,0,0|0,0,0]=2 1552 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,2,0,0,0,0|1,0,0]=3 1553 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,2,0,0,0,0|1,0,0]=3 1554 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,2,0,0,0,0|1,0,0]=3 1555 B9R0.42 C[C@H](NC(=O)CBr)C(=O)O MCULE-2038149065 [0,2,0,0,0,0|2,0,0]=4 1556 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-3478867157 [0,2,0,0,0,0|2,0,0]=4 1557 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-8272505742 [0,2,0,0,0,0|2,0,0]=4 1558 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,2,0,0,0,0|2,0,0]=4 1559 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,2,0,0,0,0|1,0,0]=3 1560 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|1,0,0]=3 1561 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|1,0,0]=3 1562 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,2,0,0,0,0|0,0,0]=2 1563 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,2,0,0,0,0|1,0,0]=3 1564 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,2,0,0,0,0|2,0,0]=4 1565 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,2,0,0,0,0|1,0,0]=3 1566 B9R0.48 C=C(C)CCC(=O)OCC MCULE-1518145690 [0,2,0,0,0,0|2,0,0]=4 1567 B9R0.48 CC=CC(=O)NCC(=O)O MCULE-3127874630 [0,2,0,0,0,0|2,0,0]=4 1568 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,2,0,0,0,0|1,0,0]=3 1570 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [0,2,0,0,0,0|2,0,0]=4 1571 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,2,0,0,0,0|1,0,0]=3 1572 B9R0.48 CCOC(=O)/C=C/C(=O)O MCULE-2354207944 [0,2,0,0,0,0|0,0,2]=4 1573 B9R0.48 CCOC(=O)/C=C\C(=O)O MCULE-9139116808 [0,2,0,0,0,0|0,0,2]=4 1574 B9R0.48 CCOC(=O)C=CC(=O)O MCULE-7475947730 [0,2,0,0,0,0|0,0,2]=4 1575 B9R0.48 CCOC(=O)CCC(=N)N MCULE-2941069504 [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [0,2,0,0,0,0|1,0,0]=3 1577 B9R0.48 CCOC(=O)CCC(=O)Cl MCULE-6113832364 [0,2,0,0,0,0|1,0,0]=3 1578 B9R0.48 CCOC(=O)CCC(=O)N MCULE-4243878001 [0,2,0,0,0,0|1,0,0]=3 1579 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,2,0,0,0,0|0,0,0]=2 1580 B9R0.48 CCOC(=O)CCN(=O)=O MCULE-9024039721 [0,2,0,0,0,0|1,0,1]=4 1581 B9R0.48 CCOC(=O)CNC(=O)C MCULE-3012556062 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.48 CCOC(=O)CNC(=O)N MCULE-5545074396 [0,2,0,0,0,0|2,0,0]=4 1583 B9R0.48 CCOC(=O)COC(=O)C MCULE-1796111350 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.48 CCOC(=O)NCC(=O)O MCULE-6050328577 [0,2,0,0,0,0|1,0,0]=3 1585 B9R0.48 CCOC(=S)SCC(=O)O MCULE-8546838454 [0,2,0,0,0,0|1,1,0]=4 1586 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [0,2,0,0,0,0|2,0,0]=4 1587 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [0,2,0,0,0,0|1,0,0]=3 1588 B9R0.48 N#C/C=C(\N)/CCC(=O)O MCULE-9325480359 [0,2,0,0,0,0|2,0,0]=4 1589 B9R0.48 N#CCC(=O)CCC(=O)O MCULE-9068617053 [0,2,0,0,0,0|1,0,0]=3 1590 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,2,0,0,0,0|2,0,0]=4 1591 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,2,0,0,0,0|2,0,0]=4 1592 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [0,2,0,0,0,0|1,0,1]=4 1593 B9R0.64 CNS(=O)(=O)CCC(=O)O MCULE-4872511761 [0,2,0,0,0,0|1,0,1]=4 1594 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [0,2,0,0,0,0|1,0,0]=3 1595 B9R0.10 CC(CC(=O)O)C(C)(C)O MCULE-5216715591 [0,2,0,0,0,0|1,0,1]=4 1596 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [0,2,0,0,0,0|2,0,0]=4 1597 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,2,0,0,0,0|1,0,0]=3 1600 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,2,0,0,0,0|1,0,0]=3 1601 B9R0.11 CC(=O)NC(C)(C)C(=O)O MCULE-7910205661 [0,2,0,0,0,0|2,0,0]=4 1602 B9R0.11 CC(=O)OC(C)(C)C(=O)O MCULE-7786541244 [0,2,0,0,0,0|2,0,0]=4 1603 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,2,0,0,0,0|0,0,0]=2 1604 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [0,2,0,0,0,0|2,0,0]=4 1605 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [0,2,0,0,0,0|2,0,0]=4 1606 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,2,0,0,0,0|0,0,0]=2 1607 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,2,0,0,0,0|0,0,0]=2 1608 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,2,0,0,0,0|0,0,0]=2 1609 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,2,0,0,0,0|0,0,0]=2 1610 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,2,0,0,0,0|0,0,0]=2 1611 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,2,0,0,0,0|1,0,0]=3 1612 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,2,0,0,0,0|1,0,0]=3 1613 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,2,0,0,0,0|0,0,0]=2 1614 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,2,0,0,0,0|0,0,0]=2 1615 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,2,0,0,0,0|0,0,0]=2 1616 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,2,0,0,0,0|0,0,0]=2 1617 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,2,0,0,0,0|2,0,0]=4 1618 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [0,2,0,0,0,0|2,0,0]=4 1619 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [0,2,0,0,0,0|2,0,0]=4 1620 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,2,0,0,0,0|2,0,0]=4 1621 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,2,0,0,0,0|2,0,0]=4 1622 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [0,2,0,0,0,0|2,0,0]=4 1623 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [0,2,0,0,0,0|2,0,0]=4 1624 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,2,0,0,0,0|2,0,0]=4 1625 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [0,2,0,0,0,0|2,0,0]=4 1626 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [0,2,0,0,0,0|2,0,0]=4 1627 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,2,0,0,0,0|0,0,1]=3 1628 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl MCULE-4134104716 [0,2,0,0,0,0|2,0,0]=4 1629 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,2,0,0,0,0|0,0,0]=2 1630 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [0,2,0,0,0,0|2,0,0]=4 1631 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [0,2,0,0,0,0|2,0,0]=4 1632 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,2,0,0,0,0|2,0,0]=4 1633 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [0,2,0,0,0,0|2,0,0]=4 1634 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,2,0,0,0,0|0,0,0]=2 1636 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,2,0,0,0,0|1,0,0]=3 1637 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,2,0,0,0,0|0,0,0]=2 1638 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,2,0,0,0,0|0,0,0]=2 1639 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,2,0,0,0,0|0,0,0]=2 1640 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,2,0,0,0,0|1,0,0]=3 1641 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,2,0,0,0,0|0,0,0]=2 1642 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,2,0,0,0,0|0,0,0]=2 1643 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,2,0,0,0,0|0,0,0]=2 1644 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,2,0,0,0,0|0,0,0]=2 1645 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,2,0,0,0,0|2,0,0]=4 1646 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,2,0,0,0,0|2,0,0]=4 1647 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,2,0,0,0,0|2,0,0]=4 1648 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,2,0,0,0,0|0,0,0]=2 1649 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,2,0,0,0,0|0,0,0]=2 1650 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,2,0,0,0,0|1,0,0]=3 1651 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,2,0,0,0,0|0,0,0]=2 1652 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [0,2,0,0,0,0|1,0,1]=4 1653 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,2,0,0,0,0|1,0,1]=4 1654 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,2,0,0,0,0|1,0,1]=4 1655 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,2,0,0,0,0|1,0,0]=3 1656 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,2,0,0,0,0|1,0,0]=3 1657 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,2,0,0,0,0|1,0,0]=3 1658 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,2,0,0,0,0|1,0,0]=3 1659 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,2,0,0,0,0|1,0,0]=3 1660 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,2,0,0,0,0|1,0,0]=3 1661 B9R0.57 O=C(O)C(O)OP(=O)(O)O MCULE-2072428473 [0,2,0,0,0,0|2,0,0]=4 1662 B9R0.79 C=C(O)[C@@H](O)[C@@H](O)C(=C)O MCULE-4802689848 [0,2,0,0,0,0|2,0,0]=4 1663 B9R0.79 CC(=C(C)C(=O)O)C(=O)O MCULE-7892331868 [0,2,0,0,0,0|0,0,2]=4 1664 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [0,2,0,0,0,0|2,0,0]=4 1665 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,2,0,0,0,0|2,0,0]=4 1666 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,2,0,0,0,0|0,0,0]=2 1667 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,2,0,0,0,0|0,0,0]=2 1668 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,2,0,0,0,0|0,0,0]=2 1669 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,2,0,0,0,0|0,0,0]=2 1670 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,2,0,0,0,0|1,0,1]=4 1671 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,2,0,0,0,0|1,0,1]=4 1672 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,2,0,0,0,0|1,0,1]=4 1673 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,2,0,0,0,0|0,0,0]=2 1674 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,2,0,0,0,0|0,0,0]=2 1675 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,2,0,0,0,0|0,0,0]=2 1676 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,2,0,0,0,0|1,0,1]=4 1677 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,2,0,0,0,0|1,0,1]=4 1678 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,2,0,0,0,0|2,0,0]=4 1679 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,2,0,0,0,0|0,0,0]=2 1680 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,2,0,0,0,0|0,0,0]=2 1681 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,2,0,0,0,0|0,0,0]=2 1682 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,2,0,0,0,0|0,0,0]=2 1683 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,2,0,0,0,0|0,0,0]=2 1684 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,2,0,0,0,0|0,0,0]=2 1685 B9R0.79 O=C(O)/C(=C(\O)/C(=O)O)/O MCULE-4694187983 [0,2,0,0,0,0|0,0,2]=4 1686 B9R0.79 O=C(O)C(=C(Br)C(=O)O)Br MCULE-6375677777 [0,2,0,0,0,0|0,0,2]=4 1687 B9R0.79 O=C(O)C(=C(O)C(=O)O)O MCULE-1231900319 [0,2,0,0,0,0|0,0,2]=4 1688 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,2,0,0,0,0|0,0,0]=2 1689 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,2,0,0,0,0|0,0,0]=2 1690 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,2,0,0,0,0|0,0,0]=2 1691 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,2,0,0,0,0|0,0,0]=2 1692 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,2,0,0,0,0|0,0,0]=2 1693 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,2,0,0,0,0|0,0,0]=2 1694 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,2,0,0,0,0|0,0,0]=2 1695 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,2,0,0,0,0|0,0,0]=2 1696 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,2,0,0,0,0|0,0,0]=2 1697 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,2,0,0,0,0|0,0,0]=2 1698 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,2,0,0,0,0|0,0,0]=2 1699 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,2,0,0,0,0|0,0,0]=2 1700 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,2,0,0,0,0|0,0,0]=2 1701 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,2,0,0,0,0|0,0,0]=2 1702 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,2,0,0,0,0|0,0,0]=2 1703 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,2,0,0,0,0|0,0,0]=2 1704 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,2,0,0,0,0|0,0,0]=2 1705 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,2,0,0,0,0|0,0,0]=2 1706 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,2,0,0,0,0|0,0,0]=2 1707 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,2,0,0,0,0|0,0,0]=2 1708 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,2,0,0,0,0|0,0,0]=2 1709 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,2,0,0,0,0|0,0,0]=2 1710 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,2,0,0,0,0|0,0,0]=2 1711 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,2,0,0,0,0|0,0,0]=2 1712 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,2,0,0,0,0|0,0,0]=2 1713 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,2,0,0,0,0|0,0,0]=2 1714 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,2,0,0,0,0|0,0,0]=2 1715 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,2,0,0,0,0|0,0,0]=2 1716 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,2,0,0,0,0|0,0,0]=2 1717 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,2,0,0,0,0|0,0,0]=2 1718 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,2,0,0,0,0|0,0,0]=2 1719 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,2,0,0,0,0|0,0,0]=2 1720 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,2,0,0,0,0|0,0,0]=2 1721 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,2,0,0,0,0|0,0,1]=3 1722 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,2,0,0,0,0|0,0,1]=3 1723 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,2,0,0,0,0|0,0,2]=4 1724 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,2,0,0,0,0|0,0,2]=4 1725 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,2,0,0,0,0|0,0,1]=3 1726 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,2,0,0,0,0|0,0,1]=3 1727 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,2,0,0,0,0|0,0,1]=3 1728 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,2,0,0,0,0|0,0,1]=3 1729 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,2,0,0,0,0|0,0,2]=4 1730 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,2,0,0,0,0|0,0,2]=4 1731 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,2,0,0,0,0|0,0,2]=4 1732 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,2,0,0,0,0|0,0,2]=4 1733 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,2,0,0,0,0|1,0,1]=4 1734 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,2,0,0,0,0|0,0,0]=2 1735 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,2,0,0,0,0|0,0,0]=2 1736 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,2,0,0,0,0|0,0,1]=3 1737 B9R0.77 O=P(O)(O)CCP(=O)(O)O MCULE-4998633006 [0,2,0,0,0,0|2,0,0]=4 1738 B9R0.77 O=S(=O)(O)CCS(=O)(=O)O MCULE-1278358457 [0,2,0,0,0,0|2,0,0]=4 1739 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [1,0,0,1,0,0|1,0,0]=3 1740 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,1,0,0|2,0,0]=4 1741 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,1,0,0|1,0,1]=4 1742 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,1,0,0|1,0,1]=4 1743 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|1,0,1]=4 1744 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|1,0,1]=4 1745 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|1,0,1]=4 1746 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [1,0,0,1,0,0|2,0,0]=4 1747 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [1,0,0,1,0,0|2,0,0]=4 1748 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [1,0,0,1,0,0|2,0,0]=4 1749 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [1,0,0,1,0,0|2,0,0]=4 1750 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [1,0,0,1,0,0|1,0,0]=3 1751 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,1,0,0|2,0,0]=4 1752 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [1,0,0,1,0,0|2,0,0]=4 1753 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [1,0,0,1,0,0|0,0,2]=4 1754 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [1,0,0,1,0,0|1,0,0]=3 1755 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [1,0,0,1,0,0|1,0,0]=3 1756 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,0,0,1,0,0|0,0,0]=2 1757 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|1,0,1]=4 1758 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|1,0,1]=4 1759 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|1,0,1]=4 1760 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|0,0,1]=3 1761 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,0,0,1,0,0|2,0,0]=4 1762 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,0,0,1,0,0|2,0,0]=4 1763 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [1,0,0,1,0,0|1,0,0]=3 1764 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [1,0,0,1,0,0|1,1,0]=4 1765 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [1,0,0,1,0,0|2,0,0]=4 1766 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [1,0,0,1,0,0|2,0,0]=4 1767 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [1,0,0,1,0,0|2,0,0]=4 1768 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [1,0,0,1,0,0|2,0,0]=4 1769 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [1,0,0,1,0,0|1,0,1]=4 1770 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,1,0,0|1,0,1]=4 1771 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,1,0,0|1,0,1]=4 1772 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [1,0,0,1,0,0|2,0,0]=4 1773 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [1,0,0,1,0,0|2,0,0]=4 1774 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,1,0,0|1,0,1]=4 1775 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,1,0,0|1,0,1]=4 1776 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,1,0,0|1,0,1]=4 1777 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [1,0,0,1,0,0|1,0,1]=4 1778 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,1,0,0|1,0,1]=4 1779 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,1,0,0|1,0,1]=4 1780 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,1,0,0|1,0,1]=4 1781 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|1,0,0]=3 1782 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|1,0,1]=4 1783 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|1,0,1]=4 1784 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|1,0,1]=4 1785 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|1,0,1]=4 1786 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|1,0,1]=4 1787 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|1,0,1]=4 1788 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|1,0,1]=4 1789 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|1,0,1]=4 1790 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|1,0,1]=4 1791 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|1,0,1]=4 1792 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|1,0,1]=4 1793 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|1,0,1]=4 1794 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|1,0,1]=4 1795 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|1,0,1]=4 1796 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|1,0,1]=4 1797 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|1,0,1]=4 1798 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|1,0,1]=4 1799 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|1,0,1]=4 1800 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|1,0,1]=4 1801 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|1,0,1]=4 1802 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|1,0,1]=4 1803 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|1,0,1]=4 1804 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|1,0,1]=4 1805 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|1,0,1]=4 1806 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|1,0,1]=4 1807 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|1,0,1]=4 1808 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|1,0,1]=4 1809 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|1,0,1]=4 1810 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|1,0,1]=4 1811 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|1,0,1]=4 1812 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|1,0,1]=4 1813 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|1,0,1]=4 1814 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|1,0,1]=4 1815 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|1,0,1]=4 1816 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|1,0,1]=4 1817 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|1,0,1]=4 1818 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|1,0,1]=4 1819 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|1,0,1]=4 1820 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|1,0,1]=4 1821 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|0,0,1]=3 1822 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|0,0,1]=3 1823 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|2,0,0]=4 1824 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|2,0,0]=4 1825 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|2,0,0]=4 1826 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|2,0,0]=4 1827 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|1,0,1]=4 1828 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|1,0,1]=4 1829 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|1,0,1]=4 1830 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|1,0,1]=4 1831 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|0,0,1]=3 1832 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|0,0,1]=3 1833 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|1,0,1]=4 1834 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|1,0,1]=4 1835 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|1,0,1]=4 1836 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|1,0,1]=4 1837 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|0,0,1]=3 1838 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|0,0,1]=3 1839 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|1,0,1]=4 1840 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|1,0,1]=4 1841 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|0,0,1]=3 1842 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|0,0,1]=3 1843 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,1|1,0,0]=3 1844 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,1|0,0,0]=2 1845 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,1|2,0,0]=4 1846 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,1,0,1|1,0,0]=3 1847 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,1,0,1|2,0,0]=4 1848 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,0,0,1,0,1|2,0,0]=4 1849 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,1|2,0,0]=4 1850 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,1|2,0,0]=4 1851 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,1|2,0,0]=4 1852 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,1,0,1|2,0,0]=4 1853 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,1|1,0,1]=4 1854 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,1|1,0,1]=4 1855 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,1|1,0,1]=4 1856 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,0,0,1,0,1|2,0,0]=4 1857 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [0,0,0,1,0,1|2,0,0]=4 1858 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,0,0,1,0,1|2,0,0]=4 1859 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,0,0,1,0,1|2,0,0]=4 1860 B9R1.35 NC1=NC(CS1)C(=O)O MCULE-3669823666 [0,0,0,1,0,1|2,0,0]=4 1861 B9R1.35 NC1=N[C@@H](CS1)C(=O)O MCULE-6192179870 [0,0,0,1,0,1|2,0,0]=4 1862 B9R1.35 NC1=N[C@H](CS1)C(=O)O MCULE-7308504151 [0,0,0,1,0,1|2,0,0]=4 1863 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,0,0,1,0,1|1,0,1]=4 1864 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,1|1,0,1]=4 1865 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,1|1,0,1]=4 1866 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,1|1,0,1]=4 1867 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [0,0,0,1,0,1|1,1,0]=4 1868 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,0,0,1,0,1|0,0,2]=4 1869 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,1|1,0,1]=4 1870 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,1|1,0,1]=4 1871 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,1|1,0,1]=4 1872 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,1|1,0,1]=4 1873 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [0,0,0,1,0,1|1,1,0]=4 1874 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [0,0,0,1,0,1|1,1,0]=4 1875 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,1|1,0,1]=4 1876 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,1|1,0,1]=4 1877 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,1|1,0,1]=4 1878 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,1|1,0,1]=4 1879 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,1|1,0,1]=4 1880 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,1|1,0,1]=4 1881 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,1|1,0,1]=4 1882 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,1|1,0,1]=4 1883 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,1|1,0,1]=4 1884 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,1|1,0,1]=4 1885 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,1|1,0,1]=4 1886 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,1|1,0,1]=4 1887 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,1|1,0,1]=4 1888 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,1|1,0,1]=4 1889 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,1|1,0,1]=4 1890 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,1|1,0,1]=4 1891 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,1|1,0,1]=4 1892 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,1|1,0,1]=4 1893 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,1|1,0,1]=4 1894 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,1|1,0,1]=4 1895 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,1|1,0,1]=4 1896 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,1|1,0,0]=3 1897 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,1|1,0,0]=3 1898 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,1|1,0,0]=3 1899 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,1|1,0,0]=3 1900 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,0,0,1,0,1|2,0,0]=4 1901 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,1|1,0,0]=3 1902 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,0,0,1,0,1|2,0,0]=4 1903 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,1|1,0,0]=3 1904 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,1|1,0,0]=3 1905 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,0,0,1,0,1|1,0,1]=4 1906 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,1|0,0,0]=2 1907 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,1|0,1,0]=3 1908 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,1|1,0,0]=3 1909 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,1|1,0,0]=3 1910 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,1|1,0,0]=3 1911 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,1|1,0,0]=3 1912 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,1,0,1|1,0,0]=3 1913 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,1|0,0,0]=2 1914 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,1|0,0,0]=2 1915 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,1|1,0,0]=3 1916 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,1|1,0,0]=3 1917 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,1|1,0,0]=3 1918 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,1|1,0,0]=3 1919 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,1|1,0,0]=3 1920 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,0,0,1,0,1|1,0,1]=4 1921 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,0,0,1,0,1|1,0,1]=4 1922 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,1,0,1|1,0,0]=3 1923 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,1|0,0,0]=2 1924 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,1|0,0,0]=2 1925 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,1|0,1,0]=3 1926 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,1|1,0,0]=3 1927 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,1|1,0,0]=3 1928 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,1|1,0,0]=3 1929 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,1|1,0,0]=3 1930 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,1|1,0,0]=3 1931 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,1|1,0,0]=3 1932 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,1|1,0,0]=3 1933 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,1|1,0,0]=3 1934 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,0,1|1,0,0]=3 1935 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,0,1|1,0,0]=3 1936 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,1|1,0,0]=3 1937 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,1|1,0,0]=3 1938 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,1|1,0,0]=3 1939 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,1|1,0,0]=3 1940 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,1|1,0,0]=3 1941 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,1|1,0,0]=3 1942 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,0,1,0,1|0,0,2]=4 1943 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,1|1,0,0]=3 1944 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,1|0,0,0]=2 1945 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,1|1,0,0]=3 1946 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,1|1,0,0]=3 1947 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,1|1,0,0]=3 1948 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,1|1,0,0]=3 1949 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,1|0,0,0]=2 1950 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,1|0,0,0]=2 1951 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,1|1,0,0]=3 1952 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,1|1,0,0]=3 1953 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,1|1,0,0]=3 1954 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,1|1,0,0]=3 1955 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,1|1,0,0]=3 1956 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,1|1,0,0]=3 1957 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,1|1,0,0]=3 1958 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,1|0,0,0]=2 1959 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,1|1,0,1]=4 1960 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,1|1,0,1]=4 1961 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,0,0,1,0,1|2,0,0]=4 1962 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,0,1,0,1|2,0,0]=4 1963 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,0,0,1,0,1|2,0,0]=4 1964 B9R1.53 CC(=O)OC1CC(=O)C1 MCULE-7425005472 [0,0,0,1,0,1|2,0,0]=4 1965 B9R1.53 CC(=O)OC1CC(=O)N1 MCULE-7042794483 [0,0,0,1,0,1|2,0,0]=4 1966 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,0,0,1,0,1|1,0,0]=3 1967 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,0,1|1,0,0]=3 1968 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,0,1|1,0,0]=3 1969 B9R1.161 O=C(Cl)C1OC1C(=O)Cl MCULE-9383694320 [0,0,0,1,0,1|2,0,0]=4 1970 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,1|0,0,0]=2 1971 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [0,0,0,1,0,1|1,0,1]=4 1972 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,1|0,0,0]=2 1973 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,1|0,0,0]=2 1974 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,1|0,0,0]=2 1975 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,1|0,0,0]=2 1976 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,1|0,0,0]=2 1977 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,1|0,0,0]=2 1978 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,1|0,0,0]=2 1979 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,1|0,0,0]=2 1980 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [0,0,0,1,0,1|1,0,1]=4 1981 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,1|0,0,0]=2 1982 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,1|0,0,0]=2 1983 B9R1.161 O=C([O-])[C@H]1O[C@H]1C(=O)[O-] MCULE-9392079342 [0,0,0,1,0,1|0,0,2]=4 1984 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [0,0,0,1,0,1|1,0,1]=4 1985 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [0,1,0,1,0,0|2,0,0]=4 1986 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [0,1,0,1,0,0|2,0,0]=4 1987 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [0,1,0,1,0,0|2,0,0]=4 1988 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,1,0,1,0,0|2,0,0]=4 1989 B9R1.69 CN1CC(=O)CCC1=O MCULE-3870648341 [0,1,0,1,0,0|2,0,0]=4 1990 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,1,0,1,0,0|1,0,1]=4 1991 B9R1.80 COC(=O)CCC1CO1 MCULE-7910688500 [0,1,0,1,0,0|1,0,1]=4 1992 B9R1.82 C=C1CC(C1)C(=O)OC MCULE-8011797750 [0,1,0,1,0,0|2,0,0]=4 1993 B9R1.82 COC(=O)C1CC(=O)C1 MCULE-8671943269 [0,1,0,1,0,0|1,0,0]=3 1994 B9R1.82 COC(=O)C1CC(C1)O MCULE-3261368737 [0,1,0,1,0,0|1,0,1]=4 1995 B9R1.82 COC(=O)N1CC(=O)C1 MCULE-2799623238 [0,1,0,1,0,0|2,0,0]=4 1996 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O MCULE-8119011760 [0,1,0,1,0,0|1,0,1]=4 1997 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O MCULE-5931352731 [0,1,0,1,0,0|1,0,1]=4 1998 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,1,0,1,0,0|1,0,1]=4 1999 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,1,0,1,0,0|1,0,1]=4 2000 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,1,0,1,0,0|1,0,1]=4 2001 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,1,0,1,0,0|1,0,1]=4 2002 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,1,0,1,0,0|1,0,1]=4 2003 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,1,0,1,0,0|1,0,1]=4 2004 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,1,0,1,0,0|1,0,1]=4 2005 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,1,0,1,0,0|2,0,0]=4 2006 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [0,1,0,1,0,0|2,0,0]=4 2007 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,1,0,1,0,0|2,0,0]=4 2008 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,1,0,1,0,0|1,0,0]=3 2009 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,1,0,1,0,0|1,0,1]=4 2010 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,1,0,1,0,0|1,0,1]=4 2011 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,1,0,1,0,0|1,0,1]=4 2012 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,1,0,1,0,0|1,0,1]=4 2013 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)F MCULE-1599041261 [0,1,0,1,0,0|1,0,1]=4 2014 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,1,0,1,0,0|1,0,1]=4 2015 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)F MCULE-8929901678 [0,1,0,1,0,0|1,0,1]=4 2016 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,1,0,1,0,0|1,0,1]=4 2017 B9R1.164 CC1(CC(C1)C(=O)O)O MCULE-2222519984 [0,1,0,1,0,0|1,0,1]=4 2018 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)O MCULE-4467958139 [0,1,0,1,0,0|1,0,1]=4 2019 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)O MCULE-3757447768 [0,1,0,1,0,0|1,0,1]=4 2020 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MCULE-7280424141 [0,1,0,1,0,0|1,0,1]=4 2021 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,2,0|2,0,0]=4 2022 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,2,0|2,0,0]=4 2023 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,2,0|2,0,0]=4 2024 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,2,0|2,0,0]=4 2025 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,2,0|2,0,0]=4 2026 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,2,0|2,0,0]=4 2027 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,2,0|2,0,0]=4 2028 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,2,0|1,0,0]=3 2029 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,2,0|1,0,1]=4 2030 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,2,0|1,0,1]=4 2031 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,2,0|1,0,1]=4 2032 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,2,0|1,0,1]=4 2033 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,2,0|1,0,1]=4 2034 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,2,0|1,0,1]=4 2035 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,2,0|1,0,1]=4 2036 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,2,0|1,0,1]=4 2037 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,2,0|1,0,1]=4 2038 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,2,0|2,0,0]=4 2039 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,2,0|1,0,0]=3 2040 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,2,0|1,0,1]=4 2041 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,2,0|1,0,1]=4 2042 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,2,0|1,0,1]=4 2043 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,2,0|2,0,0]=4 2044 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,2,0|2,0,0]=4 2045 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,2,0|0,0,0]=2 2046 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,2,0|0,0,0]=2 2047 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,2,0|0,0,0]=2 2048 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,2,0|0,0,0]=2 2049 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,2,0|0,0,0]=2 2050 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,2,0|0,0,0]=2 2051 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,2,0|0,0,0]=2 2052 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,2,0|0,0,0]=2 2053 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,2,0|0,0,0]=2 2054 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,2,0|0,0,0]=2 2055 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,2,0|0,0,0]=2 2056 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,2,0|0,0,2]=4 2057 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,2,0|0,0,2]=4 2058 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,2,0|0,0,2]=4 2059 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,2,0|0,0,2]=4 2060 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,2,0|0,0,2]=4 2061 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,2,0|0,0,2]=4 2062 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,2,0|0,0,2]=4 2063 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,2,0|0,0,2]=4 2064 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,2,0|0,0,2]=4 2065 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,0,0,0,0,2|2,0,0]=4 2066 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,0,0,0,2|2,0,0]=4 2067 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,0,0,0,0,2|2,0,0]=4 2068 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,0,0,0,2|2,0,0]=4 2069 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,0,0,0,2|2,0,0]=4 2070 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,0,0,0,2|1,0,0]=3 2071 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,0,0,0,0,2|2,0,0]=4 2072 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,0,0,0,2|1,0,0]=3 2073 B9R0.55 CC(=O)NCCNC(=O)C MCULE-2725935578 [0,0,0,0,0,2|2,0,0]=4 2074 B9R0.55 CC(=O)NCCSC(=O)C MCULE-4148813739 [0,0,0,0,0,2|2,0,0]=4 2075 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,0,0,0,2|1,0,0]=3 2076 B9R0.55 CC(=O)OCCOC(=O)C MCULE-4333627796 [0,0,0,0,0,2|2,0,0]=4 2077 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,0,0,0,2|1,0,0]=3 2078 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,0,0,0,2|2,0,0]=4 2079 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,0,0,0,0,2|2,0,0]=4 2080 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,0,0,0,2|1,0,0]=3 2081 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,0,0,0,0,2|2,0,0]=4 2082 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,0,0,0,2|1,0,0]=3 2083 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,0,0,0,2|1,0,0]=3 2084 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [0,0,0,0,0,2|2,0,0]=4 2085 B9R0.55 O=C(Cl)OCCOC(=O)Cl MCULE-1003608194 [0,0,0,0,0,2|2,0,0]=4 2086 B9R0.55 O=C(O)/C=C/C=C/C(=O)O MCULE-6385818003 [0,0,0,0,0,2|0,0,2]=4 2087 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,0,0,0,2|0,0,0]=2 2088 B9R0.55 O=C(O)/C=C\C=C/C(=O)O MCULE-3782370049 [0,0,0,0,0,2|0,0,2]=4 2089 B9R0.55 O=C(O)/C=C\C=C\C(=O)O MCULE-1285367069 [0,0,0,0,0,2|0,0,2]=4 2090 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,0,0,0,2|0,0,0]=2 2091 B9R0.55 O=C(O)C=CC=CC(=O)O MCULE-7565238801 [0,0,0,0,0,2|0,0,2]=4 2092 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,0,0,0,2|0,0,0]=2 2093 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,0,0,0,2|0,0,0]=2 2094 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,0,0,0,2|0,0,0]=2 2095 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,0,0,0,2|0,0,0]=2 2096 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,0,0,0,2|0,0,0]=2 2097 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,0,0,0,2|0,0,0]=2 2098 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,0,0,0,2|0,0,0]=2 2099 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,0,0,0,2|0,0,0]=2 2100 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,0,0,0,2|0,0,0]=2 2101 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,0,0,0,2|0,0,0]=2 2102 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,0,0,0,2|0,0,1]=3 2103 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,0,0,0,2|0,0,1]=3 2104 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,0,0,0,2|0,0,1]=3 2105 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,0,0,0,0,2|0,0,2]=4 2106 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,0,0,0,0,2|0,0,2]=4