0 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,0,0,0,0,0|2,0,0]=2 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)CNC(=S)N MCULE-3514300945 [0,0,0,0,0,0|3,1,0]=4 9 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,0|1,0,1]=2 20 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,0|1,0,1]=2 24 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.6 CC(=O)NC=C(Cl)Cl MCULE-8744236684 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,0|1,0,0]=1 38 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,0|1,0,0]=1 39 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,0|0,0,0]=0 40 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,0|1,0,1]=2 41 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.6 CC(=O)NNC(=S)N MCULE-4923078693 [0,0,0,0,0,0|2,1,0]=3 44 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,0|2,0,0]=2 46 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,0|1,0,0]=1 47 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,0,0,0,0,0|2,1,0]=3 48 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,0|1,0,0]=1 53 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,0|0,1,0]=1 54 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,0|1,0,1]=2 65 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,0|1,0,1]=2 66 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,0|2,0,1]=3 69 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,0|2,0,1]=3 72 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,0|1,0,2]=3 73 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,0|1,0,3]=4 74 B7R0.6 CC(O)CNC(C)C MCULE-9932831006 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,0|1,1,1]=3 76 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,0|3,0,0]=3 77 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,0|3,0,0]=3 78 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,0|2,0,0]=2 79 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,0|2,0,1]=3 83 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,0|2,0,2]=4 84 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,0|2,0,1]=3 85 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,0|3,0,0]=3 87 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,0|2,0,0]=2 90 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,0|2,0,0]=2 91 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,0,0,0,0,0|4,0,0]=4 92 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,0|3,0,0]=3 94 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,0|3,0,0]=3 95 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,0|2,0,1]=3 97 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,0|2,0,1]=3 98 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,0|2,0,1]=3 102 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,0|2,0,0]=2 104 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,0,0|2,1,0]=3 105 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,0|1,0,0]=1 107 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.6 NC(=O)NNC(=S)N MCULE-4551414784 [0,0,0,0,0,0|3,1,0]=4 109 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,0|2,0,0]=2 110 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,0|1,1,0]=2 111 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,0|3,0,0]=3 114 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,0|2,0,1]=3 116 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,0|2,0,1]=3 117 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,0|2,0,1]=3 118 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,0|2,0,1]=3 119 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,0|2,0,1]=3 121 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,0|2,0,1]=3 122 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,0|2,0,1]=3 123 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,0|2,0,0]=2 125 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,0|2,0,0]=2 126 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,0|2,0,1]=3 131 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,0,0,0,0,0|2,0,2]=4 132 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,0|2,0,1]=3 133 B7R0.6 O=C([O-])C#CC(=O)[O-] MCULE-8160569506 [0,0,0,0,0,0|2,0,2]=4 134 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,0,0,0,0,0|2,0,2]=4 135 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,0|2,0,0]=2 136 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,0|2,0,1]=3 137 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,0|2,0,2]=4 138 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|1,0,2]=4 140 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|1,0,0]=2 146 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|1,0,2]=4 151 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,0,0,0,0,0|1,0,2]=4 152 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|1,0,1]=3 157 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,0,0,0,0,0|1,0,0]=2 158 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [1,0,0,0,0,0|2,1,0]=4 160 B6R0.4 C=CCNC(C)C MCULE-1450045891 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.4 C=CCNC(C)C MCULE-3261189096 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.4 C=CCNC(C)C MCULE-4894255968 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|0,0,1]=2 167 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|1,0,1]=3 168 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|1,0,0]=2 173 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|1,0,1]=3 176 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [1,0,0,0,0,0|1,0,1]=3 177 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|1,0,1]=3 178 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|1,0,1]=3 179 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|0,0,1]=2 180 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|0,1,1]=3 181 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.4 CC(C)CCC=O MCULE-9664145623 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.4 CC(C)CNC=O MCULE-2156996206 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.4 CC(C)NCCO MCULE-1749029105 [1,0,0,0,0,0|1,0,2]=4 195 B6R0.4 CC(C)OCC=O MCULE-5974054323 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.4 CC(C)SCC=O MCULE-3174965592 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|1,0,2]=4 198 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|1,0,0]=2 199 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|1,0,2]=4 201 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|1,0,2]=4 202 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|1,0,1]=3 207 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|1,0,2]=4 208 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|1,0,1]=3 209 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|1,0,1]=3 214 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|1,0,1]=3 215 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|1,0,1]=3 216 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|1,0,1]=3 217 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|0,0,1]=2 218 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|0,0,1]=2 219 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,0,0,0,0,0|1,0,2]=4 220 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,0,0,0,0,0|1,0,2]=4 221 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,0,0,0,0,0|1,0,2]=4 222 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,0,0,0,0,0|1,0,2]=4 223 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,0,0,0,0,0|1,0,2]=4 224 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|1,0,1]=3 227 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|1,0,1]=3 229 B6R0.4 CN(C)CCC=O MCULE-6830649526 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|2,0,0]=3 233 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|2,0,0]=3 234 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|3,0,0]=4 237 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|3,0,0]=4 238 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|3,0,0]=4 239 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|2,0,0]=3 240 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,0,0,0,0|3,0,0]=4 241 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|3,0,0]=4 242 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|1,0,2]=4 243 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|3,0,0]=4 244 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|3,0,0]=4 245 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|3,0,0]=4 246 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|2,0,0]=3 247 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|2,0,0]=3 249 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|2,0,1]=4 253 B6R0.4 N=C(N)NCCO MCULE-5114367892 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.4 N=C(N)NCCO MCULE-6389092248 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.4 NC(=S)NCCO MCULE-9343742573 [1,0,0,0,0,0|1,1,1]=4 261 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [1,0,0,0,0,0|2,1,0]=4 262 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|3,0,0]=4 268 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|1,1,1]=4 274 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|0,0,2]=3 275 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|0,0,3]=4 276 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|1,0,0]=2 277 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|0,0,0]=1 279 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,0,0,0,0|1,0,1]=3 280 B8R0.9 C=C(C)CNC(=S)OC MCULE-1057647049 [0,1,0,0,0,0|2,1,0]=4 281 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,0|2,0,0]=3 282 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,1,0,0,0,0|2,0,0]=3 283 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,1,0,0,0,0|1,0,1]=3 284 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,1,0,0,0,0|0,0,1]=2 285 B8R0.9 C=CC(=O)NCC(C)O MCULE-7092700588 [0,1,0,0,0,0|1,0,2]=4 286 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,0|1,0,1]=3 287 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,1,0,0,0,0|3,0,0]=4 288 B8R0.9 CC(=O)NC/C(=N\O)/N MCULE-6544551877 [0,1,0,0,0,0|1,0,0]=2 289 B8R0.9 CC(=O)NCC(=O)NN MCULE-1688027287 [0,1,0,0,0,0|1,0,0]=2 290 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,1,0,0,0,0|1,0,1]=3 292 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,1,0,0,0,0|1,0,1]=3 293 B8R0.9 CC(=O)NNC(=O)CBr MCULE-4536348366 [0,1,0,0,0,0|2,0,0]=3 294 B8R0.9 CC(=O)NNC(=O)CCl MCULE-7123176949 [0,1,0,0,0,0|2,0,0]=3 295 B8R0.9 CC(=O)OCC(=O)CCl MCULE-5422965047 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,1,0,0,0,0|2,0,1]=4 299 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,1,0,0,0,0|1,0,2]=4 300 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,1,0,0,0,0|2,0,1]=4 301 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,1,0,0,0,0|2,0,1]=4 302 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,1,0,0,0,0|2,0,1]=4 303 B8R0.9 CC(C)CNC(=O)CBr MCULE-8912739616 [0,1,0,0,0,0|2,0,1]=4 304 B8R0.9 CC(C)CNC(=O)CCl MCULE-6480983342 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.9 CC(C)CNC(=O)CN MCULE-3593523223 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.9 CC(C)CNC(=O)CN MCULE-9338504001 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.9 CC(Cl)CNC(=O)CCl MCULE-1131103741 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,1,0,0,0,0|2,0,1]=4 309 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,0|2,0,0]=3 310 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,1,0,0,0,0|1,0,1]=3 311 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,1,0,0,0,0|2,0,0]=3 312 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|1,0,0]=2 313 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,1,0,0,0,0|2,0,0]=3 314 B8R0.9 CCC(=O)NC=C(Cl)Cl MCULE-3371577431 [0,1,0,0,0,0|2,0,1]=4 315 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,0|0,0,0]=1 316 B8R0.9 CCC(=O)NCC(C)C MCULE-3079187120 [0,1,0,0,0,0|2,0,1]=4 317 B8R0.9 CCC(=O)NNC(=S)N MCULE-4378556148 [0,1,0,0,0,0|2,1,0]=4 318 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,0,0,0,0|1,0,1]=3 320 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,0,0,0,0|1,0,1]=3 321 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,0|2,0,1]=4 324 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,0|1,0,2]=4 325 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,0|3,0,0]=4 326 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,0|3,0,0]=4 327 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,0|2,0,0]=3 328 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,0,0,0,0|1,0,1]=3 329 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,0|1,0,0]=2 330 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,1,0,0,0,0|1,0,0]=2 331 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,0|0,0,0]=1 332 B8R0.9 CNC(=S)NNC(=O)C MCULE-8375703993 [0,1,0,0,0,0|2,1,0]=4 333 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [0,1,0,0,0,0|1,0,1]=3 334 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,0|2,0,1]=4 335 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,1,0,0,0,0|1,0,1]=3 336 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,1,0,0,0,0|1,0,1]=3 337 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [0,1,0,0,0,0|1,0,1]=3 338 B8R0.9 COC(=O)C=CC(=O)Cl MCULE-8442342779 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,1,0,0,0,0|1,0,1]=3 340 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,0|1,0,0]=2 341 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,1,0,0,0,0|2,0,0]=3 342 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,0|2,0,0]=3 343 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,0|1,0,0]=2 344 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,1,0,0,0,0|2,1,0]=4 345 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.9 COC(=O)CCN(C)C MCULE-5967397518 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,1,0,0,0,0|2,0,0]=3 348 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,1,0,0,0,0|2,0,1]=4 349 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,0|0,0,0]=1 350 B8R0.9 COC(=O)CNC(C)C MCULE-7232154394 [0,1,0,0,0,0|1,0,1]=3 351 B8R0.9 COC(=O)COC(C)C MCULE-8327092817 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.9 COC(=O)CSC(=N)N MCULE-5721573915 [0,1,0,0,0,0|3,0,0]=4 353 B8R0.9 COC(=O)CSC(=N)N MCULE-8534299006 [0,1,0,0,0,0|3,0,0]=4 354 B8R0.9 COC(=O)CSC(C)C MCULE-9054714022 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.9 COC(=O)NC=C(Cl)Cl MCULE-2653117551 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,0|1,0,0]=2 357 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,0|0,0,0]=1 358 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,1,0,0,0,0|1,0,1]=3 359 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,0|1,1,1]=4 362 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,0|1,0,0]=2 363 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,0|1,0,0]=2 364 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,0|1,0,0]=2 365 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,0|1,0,0]=2 366 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,0|0,0,0]=1 367 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,0|0,0,0]=1 368 B8R0.9 NCC(=O)NCC(F)F MCULE-2424685367 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.9 NCC(=O)NCC(F)F MCULE-9297989555 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.9 NNC(=O)CCC(=O)N MCULE-9710004878 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,0|2,0,0]=3 375 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,0|2,0,0]=3 376 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,0|1,0,0]=2 377 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,0|1,0,0]=2 378 B8R0.9 NNC(=S)NCC(=O)N MCULE-6705086685 [0,1,0,0,0,0|2,1,0]=4 379 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,0|2,0,1]=4 380 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.9 O=C(CBr)NCC(F)F MCULE-2776688161 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,0|1,0,0]=2 383 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,0|2,0,0]=3 385 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,0|0,0,0]=1 386 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,0|1,0,0]=2 387 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,0|2,0,0]=3 390 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,0|2,0,0]=3 398 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,0|2,0,0]=3 399 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,0|2,0,0]=3 400 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,0|2,0,0]=3 401 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,0|2,0,0]=3 402 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,0|2,0,0]=3 403 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,0|2,0,0]=3 404 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,0|2,0,0]=3 405 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,0|2,0,0]=3 407 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,1,0,0,0,0|0,0,1]=2 410 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,1,0,0,0,0|1,0,2]=4 412 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,0|1,0,0]=2 413 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|1,0,0]=2 414 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|1,0,0]=2 415 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,0|1,0,0]=2 416 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,0|1,0,0]=2 417 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,0|2,0,0]=3 418 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|1,0,0]=2 419 B8R0.23 CC(=O)CN(C)C(C)C MCULE-2905536744 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.23 CC(=O)CN(C)C(C)C MCULE-7902012708 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,0|0,0,0]=1 422 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,1,0,0,0,0|1,0,1]=3 423 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,1,0,0,0,0|1,0,0]=2 424 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,0|0,0,0]=1 425 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,0|0,0,0]=1 426 B8R0.23 CC(=O)NC(O)C(Cl)Cl MCULE-3137859785 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,1,0,0,0,0|1,0,0]=2 428 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,1,0,0,0,0|1,0,0]=2 429 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,1,0,0,0,0|1,0,0]=2 430 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,1,0,0,0,0|1,0,0]=2 431 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,0|0,0,0]=1 432 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,0|0,0,0]=1 433 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,0|0,0,0]=1 434 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,0|0,0,0]=1 435 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,1,0,0,0,0|2,0,0]=3 436 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [0,1,0,0,0,0|2,0,0]=3 437 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,0|1,0,0]=2 438 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,0|1,0,0]=2 439 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [0,1,0,0,0,0|2,0,0]=3 440 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [0,1,0,0,0,0|2,0,0]=3 441 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,0|1,0,0]=2 442 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,0|1,0,0]=2 443 B8R0.23 CC(=O)O[C@@H](C)C(=S)N MCULE-3286144331 [0,1,0,0,0,0|2,1,0]=4 444 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [0,1,0,0,0,0|2,0,0]=3 445 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [0,1,0,0,0,0|2,0,0]=3 446 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,0|1,0,0]=2 447 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,0|1,0,0]=2 448 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,0,0,0,0|2,0,1]=4 449 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,0|2,0,1]=4 450 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,1,0,0,0,0|2,0,1]=4 456 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,1,0,0,0,0|2,0,1]=4 457 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,1,0,0,0,0|2,0,1]=4 459 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,1,0,0,0,0|2,0,1]=4 461 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,1,0,0,0,0|2,0,1]=4 462 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,1,0,0,0,0|2,0,1]=4 463 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,1,0,0,0,0|2,0,1]=4 469 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,1,0,0,0,0|2,0,1]=4 471 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,1,0,0,0,0|2,0,1]=4 472 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,1,0,0,0,0|1,0,1]=3 480 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,1,0,0,0,0|1,0,1]=3 481 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [0,1,0,0,0,0|1,0,2]=4 482 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,1,0,0,0,0|1,0,1]=3 483 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,1,0,0,0,0|1,0,1]=3 484 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|2,0,0]=3 497 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|2,0,0]=3 498 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|2,0,0]=3 499 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,1,0,0,0,0|3,0,0]=4 500 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,1,0,0,0,0|3,0,0]=4 501 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,1,0,0,0,0|3,0,0]=4 502 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,1,0,0,0,0|3,0,0]=4 503 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,0|2,0,0]=3 504 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,1,0,0,0,0|2,0,0]=3 505 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,0,0|1,0,0]=2 506 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,0|1,0,2]=4 507 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,0|1,0,2]=4 508 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,1,0,0,0,0|3,0,0]=4 509 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,1,0,0,0,0|3,0,0]=4 510 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,1,0,0,0,0|3,0,0]=4 511 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,1,0,0,0,0|3,0,0]=4 513 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,1,0,0,0,0|3,0,0]=4 514 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,1,0,0,0,0|3,0,0]=4 515 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,1,0,0,0,0|3,0,0]=4 516 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,1,0,0,0,0|3,0,0]=4 517 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,1,0,0,0,0|3,0,0]=4 518 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,0|2,0,0]=3 519 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,0|2,0,0]=3 520 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,0|2,0,0]=3 521 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,0|1,0,0]=2 522 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,0|1,1,0]=3 523 B8R0.23 CN(CC(=O)[O-])C(=S)[S-] MCULE-6157085602 [0,1,0,0,0,0|1,1,1]=4 524 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,0|2,0,0]=3 525 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,0|2,0,0]=3 526 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,0|2,0,0]=3 527 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|2,0,0]=3 528 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|2,0,0]=3 529 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,1,0,0,0,0|3,0,0]=4 530 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,0|1,0,2]=4 531 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,0|1,0,2]=4 532 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,0|1,0,2]=4 533 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,0|1,0,2]=4 534 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,0|1,0,2]=4 535 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,0|1,0,2]=4 536 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|2,0,0]=3 538 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,1,0,0,0,0|2,0,1]=4 541 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,0,0|1,0,0]=2 542 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,0|1,0,2]=4 543 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,0|2,0,0]=3 544 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|2,0,0]=3 545 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,0|2,0,0]=3 546 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,0|3,0,0]=4 551 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,0|3,0,0]=4 553 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,0|3,0,0]=4 554 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,0|2,0,0]=3 555 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,0|2,0,0]=3 556 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,0|1,0,0]=2 557 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|2,0,0]=3 560 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|2,0,0]=3 562 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|2,0,0]=3 563 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|2,0,0]=3 564 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|2,0,0]=3 565 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|2,0,0]=3 566 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|2,0,0]=3 567 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,0|2,0,0]=3 568 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,0,0|2,0,1]=4 569 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,0,0|2,0,1]=4 570 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|2,0,0]=3 571 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|2,0,0]=3 572 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|2,0,0]=3 573 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,0|2,0,0]=3 574 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,0,0|2,0,1]=4 575 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,0,0|2,0,1]=4 576 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,0|3,0,0]=4 580 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,0|3,0,0]=4 581 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|2,0,0]=3 582 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,0|2,0,0]=3 587 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|2,0,0]=3 588 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|2,0,0]=3 589 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|2,0,0]=3 590 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|2,0,0]=3 591 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|2,0,0]=3 592 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|2,0,0]=3 593 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|2,0,0]=3 594 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|2,0,0]=3 596 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|2,0,0]=3 597 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|2,0,0]=3 598 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|2,0,0]=3 599 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|2,0,0]=3 600 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|2,0,0]=3 601 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|2,0,0]=3 602 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|2,0,0]=3 603 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|2,0,0]=3 605 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,0|1,0,0]=2 606 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|2,0,0]=3 607 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,1,0,0,0,0|2,0,1]=4 610 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [0,1,0,0,0,0|2,0,1]=4 611 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.29 CC(=O)CNC(C)(C)C MCULE-4059953007 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.29 CC(=O)CNC(C)(C)C MCULE-9982398249 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.29 CC(=O)CNS(=O)(=O)C MCULE-3357245714 [0,1,0,0,0,0|2,0,0]=3 615 B8R0.29 CC(=O)COS(=O)(=O)C MCULE-9016144725 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,1,0,0,0,0|1,0,0]=2 617 B8R0.29 CC(=O)NNS(=O)(=O)C MCULE-4632258944 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [0,1,0,0,0,0|2,0,1]=4 619 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-4182814399 [0,1,0,0,0,0|2,0,1]=4 620 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-5526530619 [0,1,0,0,0,0|2,0,1]=4 621 B8R0.29 CC(C)(C)NCC(=O)N MCULE-8082980934 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.29 CC(C)(C)NCC(=O)O MCULE-1149308055 [0,1,0,0,0,0|1,0,1]=3 623 B8R0.29 CC(C)(C)NCC(=O)O MCULE-9781967875 [0,1,0,0,0,0|1,0,1]=3 624 B8R0.29 CC(C)(C)NCC(=O)[O-] MCULE-2801469302 [0,1,0,0,0,0|1,0,2]=4 625 B8R0.29 CC(C)(C)OCC(=O)O MCULE-9634856231 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.29 CC(C)(C)SCC(=O)O MCULE-3761706328 [0,1,0,0,0,0|2,0,1]=4 627 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,1,0,0,0,0|2,0,1]=4 628 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,1,0,0,0,0|2,0,1]=4 629 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [0,1,0,0,0,0|1,1,1]=4 630 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [0,1,0,0,0,0|2,0,1]=4 631 B8R0.29 CC(O)CNS(=O)(=O)C MCULE-5781741609 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,0,0|2,0,0]=3 633 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,0|2,0,0]=3 634 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [0,1,0,0,0,0|2,1,0]=4 635 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,0|1,0,1]=3 636 B8R0.29 CS(=O)(=O)C=CC(=O)O MCULE-9110705817 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,0,0|2,0,0]=3 638 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,0,0|1,0,0]=2 639 B8R0.29 CS(=O)(=O)NCC(=O)[O-] MCULE-9448136066 [0,1,0,0,0,0|1,0,1]=3 640 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,1,0,0,0,0|2,0,0]=3 641 B8R0.29 C[C@@H](O)CNS(=O)(=O)C MCULE-1338093262 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [0,1,0,0,0,0|2,1,0]=4 643 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,0,0|3,0,0]=4 644 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,0,0|3,0,0]=4 646 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,0,0,1,0,0|2,0,1]=4 647 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,0,0,1,0,0|3,0,0]=4 648 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,1,0,0|3,0,0]=4 649 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,1,0,0|3,0,0]=4 650 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,0,0,1,0,0|2,0,1]=4 651 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,0,0,1,0,0|2,0,1]=4 652 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,1,0,0|2,0,1]=4 653 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,0,0,1,0,0|2,0,1]=4 654 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,0,0,1,0,0|2,0,1]=4 655 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,0,0,1,0,0|2,0,1]=4 656 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,1,0,0|1,0,1]=3 657 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,0,0,1,0,0|2,0,1]=4 658 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,0,0,1,0,0|2,0,1]=4 659 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,0,0,1,0,0|2,0,1]=4 660 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,0,0,1,0,0|2,0,1]=4 661 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,0,0,1,0,0|2,0,1]=4 662 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,0,0,1,0,0|2,0,1]=4 663 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,0,0,1,0,0|2,0,1]=4 664 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,0,0,1,0,0|2,0,1]=4 665 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,1,0,0|1,0,1]=3 666 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,1,0,0|1,0,1]=3 667 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,0,0,1,0,0|2,0,1]=4 668 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,0,0,1,0,0|2,0,1]=4 669 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,0,0,1,0,0|2,0,1]=4 670 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,0,0,1,0,0|2,0,1]=4 671 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,0,0,1,0,0|2,0,1]=4 672 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,0,0,1,0,0|2,0,1]=4 673 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,0,0,1,0,0|2,0,1]=4 674 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,1,0,0|1,0,1]=3 675 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,1,0,0|1,0,1]=3 676 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,0,0,1,0,0|2,0,1]=4 677 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,0,0,1,0,0|2,0,1]=4 678 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,0,0,1,0,0|2,0,1]=4 679 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,0,0,1,0,0|2,0,1]=4 680 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,0,0,1,0,0|2,0,1]=4 681 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,0,0,1,0,0|2,0,1]=4 682 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,0,0,1,0,0|2,0,1]=4 683 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,0,0,1,0,0|2,0,1]=4 684 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,0,0,1,0,0|2,0,1]=4 685 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,0,0,1,0,0|2,0,1]=4 686 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,0,0,1,0,0|2,0,1]=4 687 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,0,0,1,0,0|2,0,1]=4 688 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,0,0,1,0,0|2,0,1]=4 689 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [0,0,0,1,0,0|2,0,1]=4 690 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,1,0,0|2,0,0]=3 691 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,0|1,0,0]=2 692 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,0,0|2,0,0]=3 693 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,0|1,0,0]=2 694 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,1,0,0|2,0,1]=4 695 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,0,0,1,0,0|2,0,1]=4 696 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,1,0,0|1,0,1]=3 697 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,0,0|1,0,2]=4 698 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,0,0,1,0,0|3,0,0]=4 699 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,1,0,0|1,0,1]=3 700 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,1,0,0|1,0,1]=3 701 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,1,0,0|1,0,1]=3 702 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,1,0,0|1,0,1]=3 703 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,1,0,0|1,0,0]=2 704 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,0|0,0,0]=1 705 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,0|1,0,0]=2 706 B8R1.3 O=C1N=CC(=CN1)O MCULE-9708220927 [0,0,0,1,0,0|2,0,1]=4 707 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,0,0,1,0,0|2,0,1]=4 708 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,0|2,0,1]=4 709 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,0|0,0,0]=1 710 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [0,0,0,1,0,0|3,0,0]=4 711 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [0,0,0,1,0,0|3,0,0]=4 712 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,0,0,1,0,0|3,0,0]=4 713 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,0|2,0,0]=3 714 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,0,0,1,0,0|2,0,1]=4 715 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,1,0,0|1,0,0]=2 716 B8R1.23 CC(=O)N1CC(C1)N MCULE-2365148708 [0,0,0,1,0,0|2,0,1]=4 717 B8R1.23 CC(=O)N1CC(C1)N MCULE-7213807824 [0,0,0,1,0,0|2,0,1]=4 718 B8R1.23 CC(=O)N1CC(C1)N MCULE-9513131334 [0,0,0,1,0,0|2,0,1]=4 719 B8R1.23 CC(=O)N1CC(C1)O MCULE-5379013327 [0,0,0,1,0,0|1,0,1]=3 720 B8R1.23 CC(C)C1CC(=O)N1 MCULE-9034089552 [0,0,0,1,0,0|2,0,1]=4 721 B8R1.23 CC(C)[C@@H]1CC(=O)N1 MCULE-4005923993 [0,0,0,1,0,0|2,0,1]=4 722 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,1,0,0|2,0,1]=4 723 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,0|1,0,1]=3 724 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,1,0,0|3,0,0]=4 725 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,0|1,0,1]=3 726 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,1,0,0|2,0,1]=4 727 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,1,0,0|2,0,1]=4 728 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,0|1,0,1]=3 729 B8R1.23 NC(=O)N1CC(C1)O MCULE-8624777593 [0,0,0,1,0,0|2,0,1]=4 730 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,0|2,0,1]=4 731 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,0|2,0,1]=4 732 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,0|2,0,1]=4 733 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,0|2,0,1]=4 734 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,0|2,0,1]=4 735 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,0|2,0,1]=4 736 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,1,0,0|2,0,1]=4 737 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,1,0,0|2,0,1]=4 738 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,1,0,0|2,0,1]=4 739 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,0|1,0,2]=4 740 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,1,0,0|2,0,1]=4 741 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,1,0,0|2,0,1]=4 742 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,0|1,0,2]=4 743 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,1,0,0|2,0,1]=4 744 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,1,0,0|2,0,1]=4 745 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,0|1,0,2]=4 746 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,1,0,0|2,0,0]=3 747 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,0|1,0,0]=2 748 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,0|0,0,0]=1 749 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,0|1,0,0]=2 750 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,0|0,0,0]=1 751 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,0|0,0,0]=1 752 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,0|0,0,0]=1 753 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,0|0,0,0]=1 754 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,1,0,0|2,0,1]=4 755 B8R1.35 CC(=O)NCC1CC1 MCULE-1770864212 [0,0,0,1,0,0|2,0,1]=4 756 B8R1.35 CC(=O)NCC1CO1 MCULE-8864606081 [0,0,0,1,0,0|1,0,1]=3 757 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [0,0,0,1,0,0|2,0,1]=4 758 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [0,0,0,1,0,0|2,0,1]=4 759 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,0|2,0,1]=4 760 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,0|1,0,2]=4 761 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,0,1,0,0|1,0,1]=3 762 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,0,1,0,0|1,0,1]=3 763 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,0,1,0,0|2,0,1]=4 764 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,0,1,0,0|2,0,1]=4 765 B8R1.51 CC1(CC(=O)CN1)C MCULE-3002354818 [0,0,0,1,0,0|2,0,1]=4 766 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,0,0,1,0,0|2,0,1]=4 767 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [0,0,0,1,0,0|2,0,1]=4 768 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [0,0,0,1,0,0|1,0,1]=3 769 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [0,0,0,1,0,0|2,0,1]=4 770 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,0,0,1,0,0|2,0,1]=4 771 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,0|2,0,0]=3 772 B8R1.51 O=C1CC(CN1)(F)F MCULE-5899183897 [0,0,0,1,0,0|2,0,1]=4 773 B8R1.51 O=C1CCS(=O)(=O)C1 MCULE-8153139552 [0,0,0,1,0,0|2,0,1]=4 774 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,0,0,1,0,0|3,0,0]=4 775 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,0,0,1,0,0|2,0,1]=4 776 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,0,0,1,0,0|2,0,1]=4 777 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,0,0,1,0,0|2,0,1]=4 778 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,0,0,1,0,0|2,0,1]=4 779 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,0,0,1,0,0|2,0,1]=4 780 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,0,0,1,0,0|2,0,1]=4 781 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,1,0|2,0,0]=3 782 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,1,0|1,0,0]=2 783 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,1,0|2,0,1]=4 784 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,1,0|2,0,1]=4 785 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,1,0|3,0,0]=4 786 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,1,0|1,0,1]=3 787 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,1,0|2,0,1]=4 788 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,1,0|2,0,1]=4 789 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,1,0|1,0,1]=3 790 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,1,0|1,0,1]=3 791 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,1,0|1,0,1]=3 792 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,1,0|1,0,1]=3 793 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,1,0|2,0,0]=3 794 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,1,0|2,0,1]=4 795 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,1,0|1,0,2]=4 796 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,1,0|1,0,2]=4 797 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,1,0|2,0,1]=4 798 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,1,0|2,0,1]=4 799 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,1,0|2,0,1]=4 800 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,1,0|1,0,1]=3 801 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,1,0|1,0,2]=4 802 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,1,0|1,0,0]=2 803 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,1,0|1,0,0]=2 804 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,1,0|0,0,0]=1 805 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,1,0|0,0,1]=2 806 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,1,0|0,0,1]=2 807 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,1,0|2,0,1]=4 808 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,1,0|2,0,1]=4 809 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,1,0|2,0,1]=4 810 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,1,0|1,0,1]=3 811 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,1,0|1,0,1]=3 812 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,1,0|3,0,0]=4 813 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,1,0|2,0,1]=4 814 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,1,0|2,0,1]=4 815 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,0,0,1,0|2,0,0]=3 816 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,1,0|1,0,0]=2 817 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,1,0|1,0,0]=2 818 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,0,0,1,0|1,1,0]=3 819 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,0,0,0,1,0|2,0,1]=4 820 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,0,0,0,1,0|3,0,0]=4 821 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,0,0,0,1,0|3,0,0]=4 822 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,1,0|2,0,0]=3 823 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,1,0|2,0,0]=3 824 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,1,0|1,0,1]=3 825 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,1,0|1,0,1]=3 826 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,1,0|1,0,1]=3 827 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,0,0,1,0|2,0,1]=4 828 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,1,0|2,0,1]=4 829 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,1,0|1,0,1]=3 830 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,0,0,1,0|2,0,1]=4 831 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,0,0,1,0|2,0,1]=4 832 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,1,0|1,0,1]=3 833 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,1,0|1,0,1]=3 834 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,1,0|2,0,1]=4 835 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,1,0|2,0,1]=4 836 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,1,0|1,0,1]=3 837 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,1,0|1,0,1]=3 838 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,1,0|1,0,1]=3 839 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,1,0|1,0,1]=3 840 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,1,0|1,0,2]=4 841 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,1,0|0,0,2]=3 842 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,1,0|0,0,2]=3 843 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,1,0|0,0,3]=4 844 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,1,0|0,0,3]=4 845 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,0,0,1,0|2,0,1]=4 846 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,0,0,1,0|3,0,0]=4 847 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,0,0,1,0|3,0,0]=4 848 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,1,0|3,0,0]=4 849 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,1,0|2,0,0]=3 850 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,1,0|2,0,0]=3 851 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,0,0,1,0|2,0,1]=4 852 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,0,0,1,0|3,0,0]=4 853 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,1,0|1,0,1]=3 854 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,1,0|1,0,1]=3 855 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,1,0|1,0,1]=3 856 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,1,0|1,0,1]=3 857 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,1,0|0,0,2]=3 858 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,1,0|0,0,2]=3 859 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,1,0|0,0,3]=4 860 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,1,0|0,0,3]=4 861 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,1,0|1,0,1]=3 862 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,1,0|1,0,1]=3 863 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,1,0|1,0,1]=3 864 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,1,0|1,0,1]=3 865 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,1,0|1,0,1]=3 866 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,1,0|1,0,1]=3 867 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,1,0|0,0,2]=3 868 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,1,0|0,0,2]=3 869 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,1,0|0,0,3]=4 870 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,1,0|0,0,3]=4 871 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,0,0,1,0|2,0,1]=4 872 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,0,0,1,0|2,0,1]=4 873 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,1,0|3,0,0]=4 874 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,0,0,0,1,0|3,0,0]=4 875 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,0,0,0,1,0|3,0,0]=4 876 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,0,0,0,1,0|3,0,0]=4 877 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,0,0,0,1,0|3,0,0]=4 878 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,1,0|3,0,0]=4 879 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,1,0|2,0,0]=3 880 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,1,0|1,0,0]=2 881 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,1,0|2,1,0]=4 882 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,1,0|2,0,1]=4 883 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,1,0|2,0,1]=4 884 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,1,0|2,0,0]=3 885 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,1,0|2,0,1]=4 886 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,1,0|2,0,1]=4 887 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,1,0|2,0,0]=3 888 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,1,0|2,0,1]=4 889 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,1,0|2,0,1]=4 890 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,1,0|2,0,1]=4 891 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,1,0|1,0,0]=2 892 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,1,0|2,0,1]=4 893 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,1,0|2,0,0]=3 894 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,1,0|1,0,1]=3 895 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,1,0|1,0,1]=3 896 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,0,0,0,1,0|2,0,1]=4 897 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,1|2,0,1]=4 898 B8R0.28 C=C(C)C=NNC(=O)C MCULE-6760285552 [0,0,0,0,0,1|2,0,1]=4 899 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,1|2,0,0]=3 900 B8R0.28 C=C(C)CNCC(=C)C MCULE-9045522543 [0,0,0,0,0,1|3,0,0]=4 901 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,1|2,0,1]=4 902 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,1|2,0,0]=3 903 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,1|1,0,1]=3 904 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,0,0,0,0,1|3,0,0]=4 905 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,0,1|2,0,0]=3 906 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,1|2,0,0]=3 907 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,1|1,0,0]=2 908 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,0,1|2,0,0]=3 909 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,0,0,0,0,1|2,0,1]=4 910 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,0,0,0,0,1|2,0,1]=4 911 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,0,1|2,0,0]=3 912 B8R0.28 CC(=O)N/C=C\N(=O)=O MCULE-3763691549 [0,0,0,0,0,1|1,0,2]=4 913 B8R0.28 CC(=O)NC=C[N+](=O)[O-] MCULE-4106299228 [0,0,0,0,0,1|1,0,2]=4 914 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,1|1,0,0]=2 915 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,1|0,0,0]=1 916 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,0,0,0,0,1|2,0,1]=4 917 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,0,0,0,0,1|2,0,0]=3 918 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,0,0,0,0,1|1,0,0]=2 919 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [0,0,0,0,0,1|3,0,0]=4 920 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,1|1,0,0]=2 921 B8R0.28 CC(=O)OCOC(=O)C MCULE-9458993444 [0,0,0,0,0,1|2,0,0]=3 922 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,0,1|2,0,0]=3 923 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,1|1,0,0]=2 924 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,0,0,0,0,1|2,0,1]=4 925 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,0,0,0,0,1|2,0,1]=4 926 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,0,1|2,0,1]=4 927 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,0,0,0,0,1|2,0,1]=4 928 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,0,0,0,0,1|2,0,1]=4 929 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,0,0,0,0,1|1,0,1]=3 930 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,0,0,0,0,1|1,0,1]=3 931 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,0,0,0,0,1|2,0,1]=4 932 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,0,0,0,0,1|2,0,1]=4 933 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,0,0,0,0,1|2,0,1]=4 934 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,0,0,0,0,1|1,0,1]=3 935 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,0,0,0,0,1|1,0,1]=3 936 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,0,0,0,0,1|2,0,1]=4 937 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,0,0,0,0,1|2,0,1]=4 938 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,1|1,0,2]=4 939 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,0,1|3,0,0]=4 940 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,0,1|3,0,0]=4 941 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,1|2,0,0]=3 942 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,1|3,0,0]=4 943 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,1|3,0,0]=4 944 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,1|1,1,0]=3 945 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,0,1|3,0,0]=4 946 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,1|2,0,0]=3 947 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,1|2,0,0]=3 948 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,1|1,0,0]=2 949 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,1|2,0,0]=3 950 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,0,1|3,0,0]=4 951 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,1|2,0,0]=3 952 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,1|1,0,1]=3 953 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,1|1,0,0]=2 954 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,0,0,0,1|2,0,0]=3 955 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,1|1,0,1]=3 956 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,1|2,1,0]=4 957 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,0,1|3,0,0]=4 958 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,0,0,0,1|3,0,0]=4 959 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,1|2,0,0]=3 960 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,1|2,0,0]=3 961 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,1|2,0,0]=3 962 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,0,1|3,0,0]=4 963 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,1|1,0,0]=2 964 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,1|2,0,0]=3 965 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,1|2,0,0]=3 966 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,0,1|2,0,1]=4 967 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,0,0,0,1|1,0,1]=3 968 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,1|2,0,0]=3 969 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,1|2,0,0]=3 970 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,0,1|2,0,1]=4 971 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 972 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [2,0,0,0,0,0|1,0,1]=4 973 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [2,0,0,0,0,0|1,0,1]=4 974 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [2,0,0,0,0,0|1,0,1]=4 975 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,1]=3 976 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|1,0,1]=4 977 B5R0.1 C=C(C)CNC MCULE-6783886553 [2,0,0,0,0,0|2,0,0]=4 978 B5R0.1 C=C(C)CNC MCULE-8292313282 [2,0,0,0,0,0|2,0,0]=4 979 B5R0.1 C=CCC(=C)C MCULE-6294070836 [2,0,0,0,0,0|2,0,0]=4 980 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [2,0,0,0,0,0|1,0,1]=4 981 B5R0.1 C=CCC(=O)N MCULE-1205335257 [2,0,0,0,0,0|1,0,1]=4 982 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,1]=3 983 B5R0.1 C=CNC(=O)C MCULE-1260296806 [2,0,0,0,0,0|0,0,1]=3 984 B5R0.1 C=CNC(=O)N MCULE-4235216182 [2,0,0,0,0,0|1,0,1]=4 985 B5R0.1 C=COC(=O)C MCULE-7626795765 [2,0,0,0,0,0|1,0,1]=4 986 B5R0.1 C=NCC(=O)N MCULE-7609497329 [2,0,0,0,0,0|1,0,1]=4 987 B5R0.1 CC#CC(=O)O MCULE-9994142213 [2,0,0,0,0,0|0,0,2]=4 988 B5R0.1 CC(=CC=O)C MCULE-7002222435 [2,0,0,0,0,0|1,0,1]=4 989 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [2,0,0,0,0,0|1,0,1]=4 990 B5R0.1 CC(=CC=O)N MCULE-2659507627 [2,0,0,0,0,0|1,0,1]=4 991 B5R0.1 CC(=CCO)C MCULE-3984123588 [2,0,0,0,0,0|2,0,0]=4 992 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [2,0,0,0,0,0|2,0,0]=4 993 B5R0.1 CC(=CCO)I MCULE-4600854759 [2,0,0,0,0,0|2,0,0]=4 994 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [2,0,0,0,0,0|1,0,1]=4 995 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [2,0,0,0,0,0|1,0,1]=4 996 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [2,0,0,0,0,0|0,0,2]=4 997 B5R0.1 CC(=O)C=NO MCULE-5513006918 [2,0,0,0,0,0|1,0,1]=4 998 B5R0.1 CC(=O)CC#N MCULE-7203242552 [2,0,0,0,0,0|1,0,1]=4 999 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|1,0,1]=4 1000 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|1,0,1]=4 1001 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|1,0,1]=4 1002 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|1,0,1]=4 1003 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|0,0,1]=3 1004 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [2,0,0,0,0,0|1,0,1]=4 1005 B5R0.1 CC(=O)NC#N MCULE-8444599659 [2,0,0,0,0,0|1,0,1]=4 1006 B5R0.1 CC(=O)NCO MCULE-4563335540 [2,0,0,0,0,0|0,0,0]=2 1007 B5R0.1 CC(=O)OCBr MCULE-9842804945 [2,0,0,0,0,0|2,0,0]=4 1008 B5R0.1 CC(=O)OCCl MCULE-6822222026 [2,0,0,0,0,0|2,0,0]=4 1009 B5R0.1 CC(=O)SCBr MCULE-9794607323 [2,0,0,0,0,0|2,0,0]=4 1010 B5R0.1 CC(C)CC=O MCULE-2939497534 [2,0,0,0,0,0|1,0,1]=4 1011 B5R0.1 CC(C)NC=O MCULE-1764010394 [2,0,0,0,0,0|1,0,1]=4 1012 B5R0.1 CC=CC(=O)C MCULE-4826977340 [2,0,0,0,0,0|1,0,1]=4 1013 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [2,0,0,0,0,0|1,0,1]=4 1014 B5R0.1 CC=CC(=O)N MCULE-9693879476 [2,0,0,0,0,0|1,0,1]=4 1015 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,1]=3 1016 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,1]=4 1017 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,1]=4 1018 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,1]=4 1019 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,1]=3 1020 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,2]=4 1021 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,2]=4 1022 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,1]=4 1023 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|0,0,1]=3 1024 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|1,0,1]=4 1025 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|1,0,1]=4 1026 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|1,0,1]=4 1027 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|1,0,1]=4 1028 B5R0.1 CN(C)CC=O MCULE-1229218563 [2,0,0,0,0,0|2,0,0]=4 1029 B5R0.1 CN(C)CC=O MCULE-3577561950 [2,0,0,0,0,0|2,0,0]=4 1030 B5R0.1 CN(C)CC=O MCULE-4493766862 [2,0,0,0,0,0|2,0,0]=4 1031 B5R0.1 CN(C)CC=O MCULE-8123455398 [2,0,0,0,0,0|2,0,0]=4 1032 B5R0.1 CN(C)NC=O MCULE-1557896286 [2,0,0,0,0,0|2,0,0]=4 1033 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|1,0,0]=3 1034 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|1,0,0]=3 1035 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|1,0,0]=3 1036 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|1,0,0]=3 1037 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|1,0,0]=3 1038 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|0,0,0]=2 1039 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|0,0,0]=2 1040 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|0,0,1]=3 1041 B5R0.1 CNCC(C)O MCULE-3671071529 [2,0,0,0,0,0|1,0,1]=4 1042 B5R0.1 CNCC(C)O MCULE-4171705304 [2,0,0,0,0,0|1,0,1]=4 1043 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [2,0,0,0,0,0|1,0,1]=4 1044 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [2,0,0,0,0,0|1,0,1]=4 1045 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [2,0,0,0,0,0|1,0,1]=4 1046 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [2,0,0,0,0,0|1,0,1]=4 1047 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [2,0,0,0,0,0|1,0,1]=4 1048 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [2,0,0,0,0,0|1,0,1]=4 1049 B5R0.1 CNOC(=O)C MCULE-1464426541 [2,0,0,0,0,0|2,0,0]=4 1050 B5R0.1 CNOC(=O)C MCULE-2976282666 [2,0,0,0,0,0|2,0,0]=4 1051 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|2,0,0]=4 1052 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|2,0,0]=4 1053 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|2,0,0]=4 1054 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,0]=3 1055 B5R0.1 CONC(=O)C MCULE-6601866630 [2,0,0,0,0,0|1,0,1]=4 1056 B5R0.1 CONC(=O)N MCULE-3063713861 [2,0,0,0,0,0|2,0,0]=4 1057 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|1,0,1]=4 1058 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|2,0,0]=4 1059 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|2,0,0]=4 1060 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|2,0,0]=4 1061 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,0]=3 1062 B5R0.1 CSNC(=O)C MCULE-7350061514 [2,0,0,0,0,0|1,0,1]=4 1063 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|1,0,1]=4 1064 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 1065 B5R0.1 N=C(N)NC=O MCULE-2702198735 [2,0,0,0,0,0|2,0,0]=4 1066 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|1,0,1]=4 1067 B5R0.1 NC(=O)NCO MCULE-7403641101 [2,0,0,0,0,0|1,0,0]=3 1068 B5R0.1 NC(=O)NN=O MCULE-2820469915 [2,0,0,0,0,0|2,0,0]=4 1069 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,1]=4 1070 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,1]=4 1071 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,1]=4 1072 B5R0.1 NNCC(=O)N MCULE-2794619708 [2,0,0,0,0,0|2,0,0]=4 1073 B5R0.1 NNCC(=O)N MCULE-6773156087 [2,0,0,0,0,0|2,0,0]=4 1074 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|1,0,0]=3 1075 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|1,0,0]=3 1076 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 1077 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 1078 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 1079 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [2,0,0,0,0,0|1,0,1]=4 1080 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [2,0,0,0,0,0|1,0,1]=4 1081 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [2,0,0,0,0,0|1,0,1]=4 1082 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [2,0,0,0,0,0|1,0,1]=4 1083 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [2,0,0,0,0,0|1,0,1]=4 1084 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [2,0,0,0,0,0|1,0,1]=4 1085 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [2,0,0,0,0,0|1,0,1]=4 1086 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [2,0,0,0,0,0|1,0,1]=4 1087 B5R0.1 O=C(O)C=CI MCULE-7162332129 [2,0,0,0,0,0|1,0,1]=4 1088 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,1]=4 1089 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,1]=4 1090 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,1]=4 1091 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,1]=4 1092 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,0,2]=4 1093 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|0,1,1]=4 1094 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|0,0,1]=3 1095 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|1,0,1]=4 1096 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [2,0,0,0,0,0|1,0,1]=4 1097 B5R0.2 C/C=C/CCO MCULE-3952855392 [2,0,0,0,0,0|1,0,1]=4 1098 B5R0.2 C=CC/C=C/C MCULE-8732875285 [2,0,0,0,0,0|2,0,0]=4 1099 B5R0.2 C=CCC=CC MCULE-8643449832 [2,0,0,0,0,0|2,0,0]=4 1100 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|1,0,1]=4 1101 B5R0.2 C=CCNC=O MCULE-1911798514 [2,0,0,0,0,0|1,0,0]=3 1102 B5R0.2 C=CCNCC MCULE-6987567673 [2,0,0,0,0,0|1,0,1]=4 1103 B5R0.2 C=CCNCC MCULE-8318544337 [2,0,0,0,0,0|1,0,1]=4 1104 B5R0.2 C=CCOC=O MCULE-4161785970 [2,0,0,0,0,0|2,0,0]=4 1105 B5R0.2 CC#CCC=O MCULE-6071390808 [2,0,0,0,0,0|1,0,1]=4 1106 B5R0.2 CC=CCCO MCULE-4302367089 [2,0,0,0,0,0|1,0,1]=4 1107 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|1,0,1]=4 1108 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|1,0,1]=4 1109 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|0,0,2]=4 1110 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|0,0,2]=4 1111 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|1,0,1]=4 1112 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|2,0,0]=4 1113 B5R0.2 CONCCO MCULE-9787830121 [2,0,0,0,0,0|1,0,1]=4 1114 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|2,0,0]=4 1115 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|1,0,0]=3 1116 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|1,0,0]=3 1117 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,1]=4 1118 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|0,0,1]=3 1119 B5R0.2 O=CNNC=O MCULE-7634212643 [2,0,0,0,0,0|1,0,0]=3 1120 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|1,0,1]=4 1121 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [1,1,0,0,0,0|2,0,0]=4 1123 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,1,0,0,0,0|1,0,1]=4 1124 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,1,0,0,0,0|1,0,1]=4 1125 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,1,0,0,0,0|1,0,1]=4 1126 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [1,1,0,0,0,0|1,0,1]=4 1127 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [1,1,0,0,0,0|1,0,1]=4 1128 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [1,1,0,0,0,0|1,0,1]=4 1129 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [1,1,0,0,0,0|0,0,1]=3 1130 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [1,1,0,0,0,0|0,0,1]=3 1131 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [1,1,0,0,0,0|0,0,1]=3 1132 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|1,0,1]=4 1133 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,1,0,0,0,0|1,0,1]=4 1134 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,1,0,0,0,0|1,0,1]=4 1135 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,1,0,0,0,0|1,0,1]=4 1136 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,1,0,0,0,0|1,0,1]=4 1137 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|1,0,1]=4 1138 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [1,1,0,0,0,0|1,0,1]=4 1139 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [1,1,0,0,0,0|1,0,1]=4 1140 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,1,0,0,0,0|0,0,1]=3 1141 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,1,0,0,0,0|1,0,1]=4 1142 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,1,0,0,0,0|1,0,1]=4 1143 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,1,0,0,0,0|1,0,1]=4 1144 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,1,0,0,0,0|1,0,1]=4 1145 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,1,0,0,0,0|1,0,1]=4 1146 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,1,0,0,0,0|1,0,1]=4 1147 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,1,0,0,0,0|1,0,1]=4 1148 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,1,0,0,0,0|1,0,1]=4 1149 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,1,0,0,0,0|1,0,1]=4 1150 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,1,0,0,0,0|1,0,1]=4 1151 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,1,0,0,0,0|1,0,1]=4 1152 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,1,0,0,0,0|1,0,1]=4 1153 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,1,0,0,0,0|1,0,1]=4 1154 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,1,0,0,0,0|0,0,0]=2 1155 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [1,1,0,0,0,0|1,0,0]=3 1156 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,1,0,0,0,0|2,0,0]=4 1157 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [1,1,0,0,0,0|2,0,0]=4 1158 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [1,1,0,0,0,0|2,0,0]=4 1159 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [1,1,0,0,0,0|2,0,0]=4 1160 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,1,0,0,0,0|2,0,0]=4 1161 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [1,1,0,0,0,0|2,0,0]=4 1162 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,1,0,0,0,0|0,0,0]=2 1163 B7R0.3 C#CCNC(=O)CBr MCULE-4982494323 [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.3 C#CCNC(=O)CC MCULE-2258533582 [1,1,0,0,0,0|1,0,1]=4 1165 B7R0.3 C#CCNC(=O)CCl MCULE-8014837574 [1,1,0,0,0,0|1,0,1]=4 1166 B7R0.3 C#CCNC(=O)CI MCULE-1660068128 [1,1,0,0,0,0|1,0,1]=4 1167 B7R0.3 C#CCNC(=O)CN MCULE-4492178837 [1,1,0,0,0,0|1,0,1]=4 1168 B7R0.3 C#CCNC(=O)CN MCULE-7672614770 [1,1,0,0,0,0|1,0,1]=4 1169 B7R0.3 C#CCNC(=O)NC MCULE-5171868572 [1,1,0,0,0,0|1,0,1]=4 1170 B7R0.3 C#CCNC(=O)OC MCULE-3058580094 [1,1,0,0,0,0|1,0,1]=4 1171 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|1,0,0]=3 1172 B7R0.3 C=CC(=O)NCCO MCULE-2036150536 [1,1,0,0,0,0|0,0,2]=4 1173 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [1,1,0,0,0,0|2,0,0]=4 1174 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [1,1,0,0,0,0|2,0,0]=4 1175 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [1,1,0,0,0,0|2,0,0]=4 1176 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [1,1,0,0,0,0|2,0,0]=4 1177 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [1,1,0,0,0,0|1,0,1]=4 1178 B7R0.3 C=CCNC(=O)CBr MCULE-5894560132 [1,1,0,0,0,0|1,0,0]=3 1179 B7R0.3 C=CCNC(=O)CCl MCULE-4830676670 [1,1,0,0,0,0|1,0,0]=3 1180 B7R0.3 C=CCNC(=O)CN MCULE-8221456161 [1,1,0,0,0,0|1,0,0]=3 1181 B7R0.3 C=CCNC(=O)CN MCULE-9764331326 [1,1,0,0,0,0|1,0,0]=3 1182 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [1,1,0,0,0,0|1,0,0]=3 1183 B7R0.3 C=CCNC(=O)CS MCULE-1040670812 [1,1,0,0,0,0|1,0,0]=3 1184 B7R0.3 C=CCNC(=S)NC MCULE-6740192122 [1,1,0,0,0,0|1,1,0]=4 1185 B7R0.3 C=CCOC(=O)CBr MCULE-1915528510 [1,1,0,0,0,0|2,0,0]=4 1186 B7R0.3 C=CCOC(=O)CCl MCULE-4722834512 [1,1,0,0,0,0|2,0,0]=4 1187 B7R0.3 C=CCOC(=O)CI MCULE-1155914135 [1,1,0,0,0,0|2,0,0]=4 1188 B7R0.3 C=CCOC(=O)CN MCULE-2053601318 [1,1,0,0,0,0|2,0,0]=4 1189 B7R0.3 C=CCOC(=O)CN MCULE-8513191813 [1,1,0,0,0,0|2,0,0]=4 1190 B7R0.3 C=CCOC(=O)CS MCULE-3191036289 [1,1,0,0,0,0|2,0,0]=4 1191 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [1,1,0,0,0,0|2,0,0]=4 1192 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|1,0,0]=3 1194 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [1,1,0,0,0,0|1,0,1]=4 1195 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [1,1,0,0,0,0|1,0,1]=4 1196 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [1,1,0,0,0,0|1,0,1]=4 1197 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [1,1,0,0,0,0|1,0,1]=4 1198 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [1,1,0,0,0,0|1,0,1]=4 1199 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [1,1,0,0,0,0|0,0,1]=3 1200 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [1,1,0,0,0,0|1,0,1]=4 1201 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [1,1,0,0,0,0|1,0,1]=4 1202 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [1,1,0,0,0,0|1,0,1]=4 1203 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [1,1,0,0,0,0|1,0,1]=4 1204 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [1,1,0,0,0,0|1,0,1]=4 1205 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [1,1,0,0,0,0|1,0,1]=4 1206 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [1,1,0,0,0,0|1,0,1]=4 1207 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [1,1,0,0,0,0|0,0,1]=3 1208 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [1,1,0,0,0,0|0,0,1]=3 1209 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [1,1,0,0,0,0|1,0,1]=4 1210 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [1,1,0,0,0,0|1,0,1]=4 1211 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [1,1,0,0,0,0|1,0,1]=4 1212 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [1,1,0,0,0,0|1,0,1]=4 1213 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [1,1,0,0,0,0|1,0,1]=4 1214 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [1,1,0,0,0,0|0,0,1]=3 1215 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [1,1,0,0,0,0|1,0,1]=4 1216 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [1,1,0,0,0,0|2,0,0]=4 1217 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [1,1,0,0,0,0|2,0,0]=4 1218 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [1,1,0,0,0,0|2,0,0]=4 1219 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [1,1,0,0,0,0|2,0,0]=4 1220 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [1,1,0,0,0,0|1,0,1]=4 1221 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|1,0,0]=3 1222 B7R0.3 COC(=O)CCCO MCULE-6149839873 [1,1,0,0,0,0|1,0,1]=4 1223 B7R0.3 COC(=O)CCSC MCULE-8525618169 [1,1,0,0,0,0|2,0,0]=4 1224 B7R0.3 COC(=O)CN=C=O MCULE-4495056254 [1,1,0,0,0,0|0,0,2]=4 1225 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [1,1,0,0,0,0|0,0,0]=2 1226 B7R0.3 COC(=O)NCCN MCULE-4816806580 [1,1,0,0,0,0|1,0,1]=4 1227 B7R0.3 COC(=O)NCCN MCULE-9765640123 [1,1,0,0,0,0|1,0,1]=4 1228 B7R0.3 COC(=O)NCCO MCULE-7141835204 [1,1,0,0,0,0|0,0,1]=3 1229 B7R0.3 COCCC(=O)OC MCULE-5918489580 [1,1,0,0,0,0|2,0,0]=4 1230 B7R0.3 N#CCNC(=O)CCl MCULE-3245517796 [1,1,0,0,0,0|1,0,1]=4 1231 B7R0.3 N#CCNC(=O)CN MCULE-1672566609 [1,1,0,0,0,0|1,0,1]=4 1232 B7R0.3 N#CCNC(=O)CN MCULE-7737504322 [1,1,0,0,0,0|1,0,1]=4 1233 B7R0.3 NCC(=O)NCCF MCULE-1969796129 [1,1,0,0,0,0|1,0,1]=4 1234 B7R0.3 NCC(=O)NCCF MCULE-9924478230 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [1,1,0,0,0,0|0,0,1]=3 1236 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [1,1,0,0,0,0|0,0,1]=3 1237 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [1,1,0,0,0,0|1,0,1]=4 1238 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [1,1,0,0,0,0|1,0,1]=4 1239 B7R0.3 O=C(CCl)NCCCl MCULE-2029189763 [1,1,0,0,0,0|1,0,1]=4 1240 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [1,1,0,0,0,0|0,0,1]=3 1241 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,1,0,0,0,0|0,0,1]=3 1242 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [1,1,0,0,0,0|1,0,1]=4 1243 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,1,0,0,0,0|0,0,2]=4 1244 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,1,0,0,0,0|0,0,2]=4 1245 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|1,0,0]=3 1246 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [1,1,0,0,0,0|1,0,1]=4 1247 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [1,1,0,0,0,0|1,0,1]=4 1248 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [1,1,0,0,0,0|2,0,0]=4 1249 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|1,0,1]=4 1251 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [1,1,0,0,0,0|2,0,0]=4 1252 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|0,0,1]=3 1253 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|0,0,1]=3 1254 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [1,1,0,0,0,0|1,0,0]=3 1256 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|1,0,1]=4 1257 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,1,0,0,0,0|1,0,1]=4 1258 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [1,1,0,0,0,0|2,0,0]=4 1259 B7R0.4 CC(=CCOC=O)C MCULE-1475053986 [1,1,0,0,0,0|2,0,0]=4 1260 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|1,0,1]=4 1261 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [1,1,0,0,0,0|1,0,1]=4 1262 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,1,0,0,0,0|0,0,0]=2 1263 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,1,0,0,0,0|1,0,1]=4 1264 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,1,0,0,0,0|1,0,1]=4 1265 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,1,0,0,0,0|1,0,1]=4 1266 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,1,0,0,0,0|1,0,1]=4 1267 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,1,0,0,0,0|0,0,1]=3 1268 B7R0.4 CC(=O)NCCON MCULE-3703048482 [1,1,0,0,0,0|0,0,1]=3 1269 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,1,0,0,0,0|1,0,1]=4 1270 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,1,0,0,0,0|1,0,0]=3 1271 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|1,0,1]=4 1272 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [1,1,0,0,0,0|1,0,1]=4 1273 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|1,0,0]=3 1274 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|1,0,0]=3 1275 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,1,0,0,0,0|1,0,1]=4 1276 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,1,0,0,0,0|1,0,1]=4 1277 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,1,0,0,0,0|1,0,1]=4 1278 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,1,0,0,0,0|1,0,1]=4 1279 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|0,0,1]=3 1280 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|0,0,1]=3 1281 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|1,0,1]=4 1282 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|1,0,1]=4 1283 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,1,0,0,0,0|1,0,1]=4 1284 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,1,0,0,0,0|1,0,1]=4 1285 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|0,0,1]=3 1286 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|0,0,1]=3 1287 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,1,0,0,0,0|1,0,1]=4 1288 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|1,0,1]=4 1289 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|1,0,1]=4 1290 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|1,0,1]=4 1291 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,1,0,0,0,0|1,0,1]=4 1292 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,1,0,0,0,0|1,0,1]=4 1293 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|1,0,1]=4 1294 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|1,0,1]=4 1295 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,1,0,0,0,0|0,0,1]=3 1296 B7R0.4 COCCNC(=O)N MCULE-1380726553 [1,1,0,0,0,0|1,0,1]=4 1297 B7R0.4 COCCOC(=O)C MCULE-3221264060 [1,1,0,0,0,0|1,0,1]=4 1298 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,1,0,0,0,0|1,0,1]=4 1299 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,1,0,0,0,0|0,1,1]=4 1300 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,1,0,0,0,0|1,0,1]=4 1302 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|1,0,1]=4 1303 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|1,0,1]=4 1304 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|1,0,1]=4 1305 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|1,0,1]=4 1306 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|0,0,1]=3 1307 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|0,0,1]=3 1308 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|1,0,1]=4 1309 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|1,0,1]=4 1310 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|1,0,1]=4 1311 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|1,0,1]=4 1312 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|1,0,1]=4 1313 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,1,0,0,0,0|1,0,1]=4 1314 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,1,0,0,0,0|1,0,1]=4 1315 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|1,0,1]=4 1316 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,1,0,0,0,0|1,0,1]=4 1317 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|0,0,1]=3 1318 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|1,0,1]=4 1319 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|1,0,1]=4 1320 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|1,0,1]=4 1321 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|1,0,1]=4 1322 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|1,0,1]=4 1323 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|1,0,1]=4 1324 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|1,0,0]=3 1325 B7R0.5 C#CCN(C)C(=O)C MCULE-6473061855 [1,1,0,0,0,0|1,0,1]=4 1326 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [1,1,0,0,0,0|2,0,0]=4 1327 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,1,0,0,0,0|1,0,1]=4 1328 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,1,0,0,0,0|1,0,1]=4 1329 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,1,0,0,0,0|1,0,1]=4 1330 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,1,0,0,0,0|1,0,1]=4 1332 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,1,0,0,0,0|1,0,1]=4 1333 B7R0.5 C=CCN(C)C(=O)N MCULE-1459320786 [1,1,0,0,0,0|2,0,0]=4 1334 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,1,0,0,0,0|1,0,1]=4 1335 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,1,0,0,0,0|1,0,1]=4 1336 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,1,0,0,0,0|1,0,1]=4 1337 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,1,0,0,0,0|1,0,1]=4 1338 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,1,0,0,0,0|1,0,1]=4 1339 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,1,0,0,0,0|1,0,1]=4 1340 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,1,0,0,0,0|1,0,1]=4 1341 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,1,0,0,0,0|1,0,1]=4 1342 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,1,0,0,0,0|1,0,1]=4 1343 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,1,0,0,0,0|1,0,1]=4 1344 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,1,0,0,0,0|1,0,1]=4 1345 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,1,0,0,0,0|1,0,1]=4 1346 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [1,1,0,0,0,0|1,0,1]=4 1347 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [1,1,0,0,0,0|1,0,1]=4 1348 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [1,1,0,0,0,0|0,0,1]=3 1349 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,1,0,0,0,0|0,0,0]=2 1350 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,1,0,0,0,0|1,0,0]=3 1351 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,1,0,0,0,0|1,0,0]=3 1352 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,1,0,0,0,0|1,0,1]=4 1353 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,1,0,0,0,0|1,0,1]=4 1354 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,1,0,0,0,0|1,0,1]=4 1355 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,1,0,0,0,0|1,0,1]=4 1356 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,1,0,0,0,0|1,0,1]=4 1357 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,1,0,0,0,0|1,0,1]=4 1358 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,1,0,0,0,0|1,0,1]=4 1359 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|1,0,1]=4 1360 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|1,0,1]=4 1361 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,1,0,0,0,0|1,0,1]=4 1362 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,1,0,0,0,0|1,0,1]=4 1363 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|1,0,1]=4 1364 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,1,0,0,0,0|1,0,1]=4 1365 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,1,0,0,0,0|1,0,1]=4 1366 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,1,0,0,0,0|1,0,1]=4 1367 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,1,0,0,0,0|1,0,1]=4 1368 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|1,0,1]=4 1369 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|1,0,1]=4 1370 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,1,0,0,0,0|0,0,2]=4 1371 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [1,1,0,0,0,0|1,0,1]=4 1372 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [1,1,0,0,0,0|1,0,1]=4 1373 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,1,0,0,0,0|0,0,1]=3 1374 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,1,0,0,0,0|0,0,1]=3 1375 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,1,0,0,0,0|0,0,1]=3 1376 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,1,0,0,0,0|1,0,1]=4 1377 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,1,0,0,0,0|1,0,1]=4 1378 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,1,0,0,0,0|2,0,0]=4 1379 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,1,0,0,0,0|2,0,0]=4 1380 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,1,0,0,0,0|2,0,0]=4 1381 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,1,0,0,0,0|2,0,0]=4 1382 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,1,0,0,0,0|2,0,0]=4 1383 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,1,0,0,0,0|2,0,0]=4 1384 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,1,0,0,0,0|2,0,0]=4 1385 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,1,0,0,0,0|2,0,0]=4 1386 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,1,0,0,0,0|2,0,0]=4 1387 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,1,0,0,0,0|2,0,0]=4 1388 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,1,0,0,0,0|2,0,0]=4 1389 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,1,0,0,0,0|2,0,0]=4 1390 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,1,0,0,0,0|2,0,0]=4 1391 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,1,0,0,0,0|2,0,0]=4 1392 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,1,0,0,0,0|2,0,0]=4 1393 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,1,0,0,0,0|2,0,0]=4 1394 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,1,0,0,0,0|2,0,0]=4 1395 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,1,0,0,0,0|2,0,0]=4 1398 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,1,0,0,0,0|2,0,0]=4 1401 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,1,0,0,0,0|2,0,0]=4 1402 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,1,0,0,0,0|2,0,0]=4 1403 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,1,0,0,0,0|2,0,0]=4 1404 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,1,0,0,0,0|2,0,0]=4 1405 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,1,0,0,0,0|2,0,0]=4 1406 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,1,0,0,0,0|0,0,0]=2 1407 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,1,0,0,0,0|0,0,0]=2 1408 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,1,0,0,0,0|2,0,0]=4 1409 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,1,0,0,0,0|2,0,0]=4 1410 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,1,0,0,0,0|2,0,0]=4 1411 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,1,0,0,0,0|2,0,0]=4 1412 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,1,0,0,0,0|2,0,0]=4 1413 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,1,0,0,0,0|2,0,0]=4 1414 B7R0.8 C=CCNS(=O)(=O)C MCULE-9632078430 [1,1,0,0,0,0|2,0,0]=4 1415 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [1,1,0,0,0,0|2,0,0]=4 1416 B7R0.8 CS(=O)(=O)NCCO MCULE-2565384564 [1,1,0,0,0,0|1,0,1]=4 1417 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,1,0,0,1,0|2,0,0]=4 1418 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,0,0,1,0|1,0,1]=4 1419 B7R0.9 CC(=O)CS(=O)(=O)C MCULE-5686426572 [0,1,0,0,1,0|1,0,1]=4 1420 B7R0.9 CC(=O)CS(=O)(=O)F MCULE-1649143366 [0,1,0,0,1,0|1,0,1]=4 1421 B7R0.9 CC(=O)CS(=O)(=O)N MCULE-1632563820 [0,1,0,0,1,0|1,0,1]=4 1422 B7R0.9 CC(=O)NS(=O)(=O)Cl MCULE-3658721510 [0,1,0,0,1,0|1,0,1]=4 1423 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,1,0,0,1,0|2,0,0]=4 1424 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,0,0,1,0|1,0,1]=4 1425 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,0,0,1,0|1,0,1]=4 1426 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,1,0|1,0,1]=4 1427 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,1,0|1,0,1]=4 1428 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,1,0|1,0,1]=4 1429 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,1,0|0,0,2]=4 1430 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,0,0,1,0|0,1,1]=4 1431 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,1,0,0,1,0|1,0,1]=4 1432 B7R0.9 CS(=O)(=O)CC(=O)Cl MCULE-9861100117 [0,1,0,0,1,0|2,0,0]=4 1433 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [0,1,0,0,1,0|2,0,0]=4 1434 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,1,0|1,0,0]=3 1435 B7R0.9 CS(=O)(=O)NC(=O)N MCULE-7868605068 [0,1,0,0,1,0|2,0,0]=4 1436 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,1,0,0,1,0|2,0,0]=4 1437 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,1,0,0,1,0|2,0,0]=4 1438 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,1,0,0,1,0|1,1,0]=4 1439 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,1,0|2,0,0]=4 1440 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,1,0|2,0,0]=4 1441 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,1,0|2,0,0]=4 1442 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,1,0|1,0,1]=4 1443 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,1,0|2,0,0]=4 1444 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,1,0|1,0,0]=3 1445 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,1,0|1,0,0]=3 1446 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,1,0|1,0,0]=3 1447 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,1,0|1,0,0]=3 1448 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,1,0|2,0,0]=4 1449 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,1,0|1,0,0]=3 1450 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,1,0|1,0,0]=3 1451 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,1,0|1,0,0]=3 1452 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,1,0|1,0,0]=3 1453 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,1,0|1,0,1]=4 1454 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,1,0|1,0,1]=4 1455 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,1,0|1,0,1]=4 1456 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,1,0|1,0,1]=4 1457 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,1,0|1,0,1]=4 1458 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,1,0|1,0,0]=3 1459 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,1,0|1,0,0]=3 1460 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,1,0|1,0,0]=3 1461 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,1,0|1,0,0]=3 1462 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,1,0|1,0,0]=3 1463 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,1,0|1,0,0]=3 1464 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,1,0,0,1,0|1,0,0]=3 1465 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,1,0|1,0,1]=4 1466 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,1,0|1,0,1]=4 1467 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,1,0,0,1,0|2,0,0]=4 1468 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,1,0|2,0,0]=4 1469 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,1,0|1,0,0]=3 1470 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,1,0|2,0,0]=4 1471 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,1,0|2,0,0]=4 1472 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,1,0|2,0,0]=4 1473 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,1,0,0,1,0|1,0,1]=4 1474 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,1,0,0,1,0|1,0,1]=4 1475 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,1,0|1,0,1]=4 1476 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,1,0|1,0,1]=4 1477 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,1,0|1,0,1]=4 1478 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,1,0|1,0,1]=4 1479 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,1,0|1,0,1]=4 1480 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,1,0|1,0,1]=4 1481 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,1,0|1,0,1]=4 1482 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,1,0|1,0,1]=4 1483 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,1,0|1,0,1]=4 1484 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,1,0|1,0,1]=4 1485 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,1,0|1,0,1]=4 1486 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,1,0|1,0,1]=4 1487 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,1,0|1,0,1]=4 1488 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,1,0|1,0,1]=4 1489 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,1,0|1,0,1]=4 1490 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,1,0|1,0,1]=4 1491 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,1,0|1,0,1]=4 1492 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,1,0|1,0,1]=4 1493 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,1,0|1,0,1]=4 1494 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,1,0|1,0,1]=4 1495 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,1,0|1,0,1]=4 1496 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,1,0|1,0,1]=4 1497 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,1,0|1,0,1]=4 1498 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,1,0|1,0,1]=4 1499 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,1,0|1,0,1]=4 1500 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,1,0|1,0,1]=4 1501 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,1,0|1,0,1]=4 1502 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,1,0|1,0,1]=4 1503 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,1,0|1,0,1]=4 1504 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,1,0|1,0,1]=4 1505 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,1,0|0,0,2]=4 1506 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,1,0|0,0,2]=4 1507 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,1,0|0,0,2]=4 1508 B7R0.16 CN(C(=O)Cl)C(=O)Cl MCULE-8169088410 [0,1,0,0,1,0|2,0,0]=4 1509 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,1,0|2,0,0]=4 1510 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,1,0|2,0,0]=4 1511 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,1,0|2,0,0]=4 1512 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,1,0|1,0,1]=4 1513 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,1,0|0,0,2]=4 1514 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,1,0|0,0,2]=4 1515 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,1,0|0,0,2]=4 1516 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,1,0|0,0,2]=4 1517 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,1,0|0,0,2]=4 1518 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,1,0|0,0,2]=4 1519 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,1,0|0,0,2]=4 1520 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,1,0|0,0,2]=4 1521 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,1,0|0,0,2]=4 1522 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,1,0|0,0,2]=4 1523 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,1,0|2,0,0]=4 1524 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,1,0|2,0,0]=4 1525 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,1,0|1,0,1]=4 1526 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,1,0|1,0,1]=4 1527 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,1,0|0,0,2]=4 1528 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,1,0|1,0,1]=4 1529 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,1,0|1,0,1]=4 1530 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,1,0|1,0,1]=4 1531 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,1,0|1,0,1]=4 1532 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,1,0|0,0,2]=4 1533 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,1,0|0,0,2]=4 1534 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,1,0|0,0,2]=4 1535 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,1,0|0,0,2]=4 1536 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,1,0|0,0,2]=4 1537 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,1,0|0,0,2]=4 1538 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,1,0|2,0,0]=4 1539 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,1,0|2,0,0]=4 1540 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,1,0|1,0,0]=3 1541 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,1,0|1,0,1]=4 1542 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,1,0|1,0,0]=3 1543 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,1,0|1,0,0]=3 1544 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,1,0|1,0,0]=3 1545 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,1,0,0,0,1|2,0,0]=4 1546 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [0,1,0,0,0,1|1,0,1]=4 1547 B9R0.1 CC(O)CCNC(=O)CN MCULE-2254047793 [0,1,0,0,0,1|1,0,1]=4 1548 B9R0.1 CC(O)CCNC(=O)CN MCULE-3406589793 [0,1,0,0,0,1|1,0,1]=4 1549 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [0,1,0,0,0,1|2,0,0]=4 1550 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,1,0,0,0,1|1,0,0]=3 1551 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,1,0,0,0,1|0,0,0]=2 1552 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [0,1,0,0,0,1|2,0,0]=4 1553 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,1,0,0,0,1|1,0,0]=3 1554 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,1,0,0,0,1|1,0,0]=3 1555 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [0,1,0,0,0,1|0,0,0]=2 1556 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,1,0,0,0,1|1,0,0]=3 1557 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [0,1,0,0,0,1|2,0,0]=4 1558 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,1,0,0,0,1|1,0,0]=3 1559 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,1,0,0,0,1|0,0,0]=2 1560 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [0,1,0,0,0,1|1,0,0]=3 1561 B9R0.1 COC(=O)CCNC(C)C MCULE-3115197137 [0,1,0,0,0,1|1,0,1]=4 1562 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,1,0,0,0,1|0,0,0]=2 1563 B9R0.1 COC(=O)CNCC(C)C MCULE-6522627999 [0,1,0,0,0,1|1,0,1]=4 1564 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,1,0,0,0,1|1,0,0]=3 1565 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,1,0,0,0,1|1,0,0]=3 1566 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [0,1,0,0,0,1|1,0,0]=3 1567 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,1,0,0,0,1|1,0,0]=3 1568 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,1,0,0,0,1|0,0,0]=2 1569 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,1,0,0,0,1|1,0,0]=3 1570 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,1,0,0,0,1|1,0,0]=3 1571 B9R0.1 NCC(=O)NCCC(=O)N MCULE-3860393064 [0,1,0,0,0,1|1,0,0]=3 1572 B9R0.1 NCC(=O)NCCC(=O)N MCULE-8788981043 [0,1,0,0,0,1|1,0,0]=3 1573 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,1,0,0,0,1|0,0,0]=2 1574 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,1,0,0,0,1|0,0,0]=2 1575 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,1,0,0,0,1|0,0,0]=2 1576 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,1,0,0,0,1|0,0,0]=2 1577 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,0,0,0,1|2,0,0]=4 1578 B9R0.7 C/C(=N/NC(=O)N)/C(=O)O MCULE-9321060192 [0,1,0,0,0,1|1,0,1]=4 1579 B9R0.7 C/C(=N\NC(=O)N)/C(=O)O MCULE-7459723879 [0,1,0,0,0,1|1,0,1]=4 1580 B9R0.7 C=C(C)C(=O)NCC(=O)O MCULE-9965285150 [0,1,0,0,0,1|1,0,0]=3 1581 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,1|2,0,0]=4 1582 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,1,0,0,0,1|2,0,0]=4 1583 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,1,0,0,0,1|2,0,0]=4 1584 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,1,0,0,0,1|2,0,0]=4 1585 B9R0.7 CC(=NNC(=O)N)C(=O)O MCULE-9419629764 [0,1,0,0,0,1|1,0,1]=4 1586 B9R0.7 CC(=NOC(C)C(=O)O)C MCULE-2667021953 [0,1,0,0,0,1|1,0,1]=4 1587 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,0,1|1,0,0]=3 1588 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,1,0,0,0,1|1,0,1]=4 1589 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,0,1|0,0,0]=2 1590 B9R0.7 CC(=O)N(C)CCC(=S)N MCULE-6233171905 [0,1,0,0,0,1|1,1,0]=4 1591 B9R0.7 CC(=O)NN=C(C)C(=O)O MCULE-4949211950 [0,1,0,0,0,1|0,0,1]=3 1592 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,0,1|1,0,0]=3 1593 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,0,1|1,0,0]=3 1594 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,0,1|1,0,0]=3 1595 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,0,1|1,0,0]=3 1596 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,0,1|1,0,0]=3 1597 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,0,1|1,0,0]=3 1598 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,0,1|1,0,0]=3 1599 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,0,1|1,0,0]=3 1600 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,0,1|1,0,0]=3 1601 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,0,1|1,0,0]=3 1602 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,0,1|1,0,0]=3 1603 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,0,1|1,0,0]=3 1604 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [0,1,0,0,0,1|2,0,0]=4 1605 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,0,0,0,1|1,0,0]=3 1606 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,0,1|1,0,0]=3 1607 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,0,1|1,0,0]=3 1608 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,0,0,0,1|1,0,0]=3 1609 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,0,0,0,1|1,0,0]=3 1610 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,0,1|1,0,0]=3 1611 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,0,1|1,0,0]=3 1612 B9R0.7 CC(C)C(=O)NCC(=O)O MCULE-8263786936 [0,1,0,0,0,1|1,0,1]=4 1613 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-1211739557 [0,1,0,0,0,1|1,0,1]=4 1614 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-7992959591 [0,1,0,0,0,1|1,0,1]=4 1615 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,1|2,0,0]=4 1616 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,1|2,0,0]=4 1617 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,1,0,0,0,1|1,0,0]=3 1618 B9R0.7 CC(Cl)C(=O)NCC(=O)O MCULE-9908034208 [0,1,0,0,0,1|1,0,1]=4 1619 B9R0.7 CC(N)C(=O)NCC(=O)O MCULE-5334499783 [0,1,0,0,0,1|1,0,1]=4 1620 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,0,1|1,0,0]=3 1621 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,0,1|1,0,0]=3 1622 B9R0.7 CC(S)C(=O)NCC(=O)O MCULE-8593628629 [0,1,0,0,0,1|0,1,1]=4 1623 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,0,1|2,0,0]=4 1624 B9R0.7 CN(C)C(=O)NCC(=O)O MCULE-9308369846 [0,1,0,0,0,1|2,0,0]=4 1625 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,1|2,0,0]=4 1626 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,1|2,0,0]=4 1627 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,1|2,0,0]=4 1628 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,1|2,0,0]=4 1629 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,1|2,0,0]=4 1630 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,1|2,0,0]=4 1631 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,1|2,0,0]=4 1632 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-1572586456 [0,1,0,0,0,1|1,0,1]=4 1633 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-2334963197 [0,1,0,0,0,1|1,0,1]=4 1634 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-3041567092 [0,1,0,0,0,1|1,0,1]=4 1635 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-5810433569 [0,1,0,0,0,1|1,0,1]=4 1636 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,1|2,0,0]=4 1637 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,1|2,0,0]=4 1638 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-1231323853 [0,1,0,0,0,1|1,0,1]=4 1639 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-6793382418 [0,1,0,0,0,1|1,0,1]=4 1640 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,0,1|1,0,0]=3 1641 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,0,1|1,0,0]=3 1642 B9R0.7 C[C@H](S)C(=O)NCC(=O)O MCULE-3909668002 [0,1,0,0,0,1|0,1,1]=4 1643 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,1,0,0,0,1|2,0,0]=4 1644 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,1,0,0,0,1|2,0,0]=4 1645 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,1,0,0,0,1|2,0,0]=4 1646 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,1,0,0,0,1|2,0,0]=4 1647 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,1,0,0,0,1|2,0,0]=4 1648 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,1,0,0,0,1|2,0,0]=4 1649 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,1,0,0,0,1|2,0,0]=4 1650 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,1,0,0,0,1|2,0,0]=4 1651 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,1|2,0,0]=4 1652 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,1|2,0,0]=4 1653 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,0,1|2,0,0]=4 1654 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,0,1|2,0,0]=4 1655 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,0,1|2,0,0]=4 1656 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,0,1|2,0,0]=4 1657 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,0,1|2,0,0]=4 1658 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,0,0,0,1|1,0,0]=3 1659 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,0,0,0,1|1,0,0]=3 1660 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,0,0,0,1|1,0,0]=3 1661 B9R0.7 NC(=O)NC[C@H]([NH3+])C(=O)[O-] MCULE-2674726108 [0,1,0,0,0,1|1,0,1]=4 1662 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,0,0,0,1|2,0,0]=4 1663 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,0,0,0,1|2,0,0]=4 1664 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,0,0,0,1|2,0,0]=4 1665 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,1|2,0,0]=4 1666 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,1|2,0,0]=4 1667 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,1|2,0,0]=4 1668 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,1|2,0,0]=4 1669 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,1|2,0,0]=4 1670 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,1|2,0,0]=4 1671 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,1|2,0,0]=4 1672 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,1|2,0,0]=4 1673 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,1|2,0,0]=4 1674 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,0,0,0,1|2,0,0]=4 1675 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,1|2,0,0]=4 1676 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,1|2,0,0]=4 1677 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,1|2,0,0]=4 1678 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,1|2,0,0]=4 1679 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,1|2,0,0]=4 1680 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,0,0,0,1|2,0,0]=4 1681 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,0,0,0,1|2,0,0]=4 1682 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,0,0,0,1|2,0,0]=4 1683 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,1|2,0,0]=4 1684 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,1|2,0,0]=4 1685 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,1|2,0,0]=4 1686 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,1|2,0,0]=4 1687 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,1|2,0,0]=4 1688 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,1|2,0,0]=4 1689 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,1|2,0,0]=4 1690 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,1|2,0,0]=4 1691 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,1|2,0,0]=4 1692 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,1|2,0,0]=4 1693 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,1|2,0,0]=4 1694 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,1|2,0,0]=4 1695 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,0,1|1,0,0]=3 1696 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,0,0,0,1|2,0,0]=4 1697 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,1|2,0,0]=4 1698 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,1|2,0,0]=4 1699 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,1|2,0,0]=4 1700 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,1|2,0,0]=4 1701 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,1,0,0,0,1|2,0,0]=4 1702 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,1,0,0,0,1|2,0,0]=4 1703 B9R0.53 CC(=O)CC(=O)NC(=O)C MCULE-5043942110 [0,1,0,0,0,1|1,0,0]=3 1704 B9R0.53 CC(=O)NC(=O)NC(=O)C MCULE-1033848283 [0,1,0,0,0,1|1,0,1]=4 1705 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,1,0,0,0,1|0,0,0]=2 1706 B9R0.53 CC(=O)OC(C)OC(=O)C MCULE-7151313728 [0,1,0,0,0,1|2,0,0]=4 1707 B9R0.53 CC(C)NC(=O)CC(=O)O MCULE-6733291485 [0,1,0,0,0,1|1,0,1]=4 1708 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,1,0,0,0,1|2,0,0]=4 1709 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,1,0,0,0,1|1,0,0]=3 1710 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,1,0,0,0,1|1,0,0]=3 1711 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,1,0,0,0,1|1,0,0]=3 1712 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,0,0,0,1|2,0,0]=4 1713 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,0,0,0,1|2,0,0]=4 1714 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,1,0,0,0,1|1,0,0]=3 1715 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,1,0,0,0,1|2,0,0]=4 1716 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,1,0,0,0,1|2,0,0]=4 1717 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,1,0,0,0,1|2,0,0]=4 1718 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,1,0,0,0,1|2,0,0]=4 1719 B9R0.56 CC(=O)NCCS(=O)(=O)N MCULE-7071799992 [0,1,0,0,0,1|1,0,1]=4 1720 B9R0.56 CC(=O)NCCS(=O)(=O)O MCULE-4053951959 [0,1,0,0,0,1|1,0,0]=3 1721 B9R0.56 CC(=O)SCCS(=O)(=O)O MCULE-4519705338 [0,1,0,0,0,1|2,0,0]=4 1722 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-1268208354 [0,1,0,0,0,1|1,0,1]=4 1723 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-5430860345 [0,1,0,0,0,1|1,0,1]=4 1724 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,1,0,0,0,1|2,0,0]=4 1725 B9R0.56 CS(=O)(=O)NCCC(=O)O MCULE-7823027792 [0,1,0,0,0,1|1,0,0]=3 1726 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [0,1,0,0,0,1|2,0,0]=4 1727 B9R0.56 NS(=O)(=O)NCCC(=O)O MCULE-7564527970 [0,1,0,0,0,1|2,0,0]=4 1728 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [0,1,0,0,0,1|2,0,0]=4 1729 B9R0.56 O=C([O-])CNCP(=O)(O)O MCULE-8648426476 [0,1,0,0,0,1|2,0,0]=4 1730 B9R0.21 COC(=O)CCS(=O)(=O)C MCULE-4450384265 [0,2,0,0,0,0|2,0,0]=4 1731 B9R0.21 COC(=O)CNC(C)(C)C MCULE-8749923007 [0,2,0,0,0,0|1,0,1]=4 1732 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,2,0,0,0,0|1,0,0]=3 1733 B9R0.23 C=C(C)CC(N)C(=O)OC MCULE-2770411625 [0,2,0,0,0,0|2,0,0]=4 1734 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,2,0,0,0,0|1,0,0]=3 1735 B9R0.23 C=C(NC(=O)C)C(=O)OC MCULE-8995388871 [0,2,0,0,0,0|0,0,1]=3 1736 B9R0.23 C=CC(=O)N(C)CC(=O)O MCULE-9771391783 [0,2,0,0,0,0|0,0,1]=3 1737 B9R0.23 CCC(=O)N(C)CC(=O)O MCULE-1259899510 [0,2,0,0,0,0|0,0,0]=2 1738 B9R0.23 CN(CC(=O)O)C(=O)CCl MCULE-5510442150 [0,2,0,0,0,0|0,0,0]=2 1739 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,2,0,0,0,0|0,0,0]=2 1740 B9R0.23 CNC(=O)C(C)NC(=O)C MCULE-9465926492 [0,2,0,0,0,0|1,0,0]=3 1741 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-5078086866 [0,2,0,0,0,0|1,0,0]=3 1742 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-8878746603 [0,2,0,0,0,0|1,0,0]=3 1743 B9R0.23 COC(=O)/C(=C/C(=O)O)/Br MCULE-9236300450 [0,2,0,0,0,0|1,0,1]=4 1744 B9R0.23 COC(=O)C(=CC(=O)C)O MCULE-4086335030 [0,2,0,0,0,0|1,0,1]=4 1745 B9R0.23 COC(=O)C(=CC(=O)C)[O-] MCULE-6893575885 [0,2,0,0,0,0|1,0,1]=4 1746 B9R0.23 COC(=O)C(=CC(=O)O)Br MCULE-7067392588 [0,2,0,0,0,0|1,0,1]=4 1747 B9R0.23 COC(=O)C(=O)CC(=O)C MCULE-8074026108 [0,2,0,0,0,0|1,0,1]=4 1748 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [0,2,0,0,0,0|1,0,0]=3 1749 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,2,0,0,0,0|1,0,0]=3 1750 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-7499205437 [0,2,0,0,0,0|0,0,0]=2 1751 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-9931125485 [0,2,0,0,0,0|0,0,0]=2 1752 B9R0.23 COC(=O)C(C)OC(=O)C MCULE-7908136641 [0,2,0,0,0,0|1,0,0]=3 1753 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,2,0,0,0,0|1,0,0]=3 1756 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,2,0,0,0,0|0,0,0]=2 1757 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,2,0,0,0,0|1,0,0]=3 1758 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-3683972950 [0,2,0,0,0,0|0,0,0]=2 1759 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-9078107491 [0,2,0,0,0,0|0,0,0]=2 1760 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [0,2,0,0,0,0|2,0,0]=4 1762 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [0,2,0,0,0,0|2,0,0]=4 1763 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,2,0,0,0,0|1,0,0]=3 1765 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,2,0,0,0,0|1,0,0]=3 1766 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,2,0,0,0,0|1,0,0]=3 1767 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,2,0,0,0,0|1,0,0]=3 1768 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9272877417 [0,2,0,0,0,0|0,0,0]=2 1769 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9675191541 [0,2,0,0,0,0|0,0,0]=2 1770 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-7231856462 [0,2,0,0,0,0|1,0,0]=3 1771 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-9967813219 [0,2,0,0,0,0|1,0,0]=3 1772 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [0,2,0,0,0,0|2,0,0]=4 1773 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [0,2,0,0,0,0|2,0,0]=4 1774 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [0,2,0,0,0,0|2,0,0]=4 1775 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [0,2,0,0,0,0|2,0,0]=4 1776 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,2,0,0,0,0|1,0,0]=3 1777 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,2,0,0,0,0|1,0,0]=3 1778 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,2,0,0,0,0|1,0,0]=3 1779 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,2,0,0,0,0|1,0,0]=3 1780 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,2,0,0,0,0|1,0,0]=3 1781 B9R0.23 CSC(=S)N(C)CC(=O)O MCULE-5618305057 [0,2,0,0,0,0|0,1,0]=3 1782 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [0,2,0,0,0,0|1,0,0]=3 1783 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,2,0,0,0,0|1,0,0]=3 1784 B9R0.24 C(=C\C(=O)OC)\C(=O)OC MCULE-9787020384 [0,2,0,0,0,0|1,0,1]=4 1785 B9R0.24 CCC(=O)CCC(=O)CC MCULE-8095896851 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [0,2,0,0,0,0|1,0,0]=3 1787 B9R0.24 CCC(=O)CNC(=O)CCl MCULE-4773484203 [0,2,0,0,0,0|1,0,0]=3 1788 B9R0.24 CCC(=O)NCC(=O)NN MCULE-8497711073 [0,2,0,0,0,0|1,0,0]=3 1789 B9R0.24 CCC(=O)NNC(=O)CC MCULE-6296442015 [0,2,0,0,0,0|2,0,0]=4 1790 B9R0.24 CCC(=O)NNC(=O)CCl MCULE-8356865212 [0,2,0,0,0,0|2,0,0]=4 1791 B9R0.24 CCC(C)NCC(=O)OC MCULE-5997453349 [0,2,0,0,0,0|1,0,1]=4 1792 B9R0.24 CNC(=O)CCC(=O)NC MCULE-1963512948 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.24 CNC(=O)CNC(=O)CN MCULE-6194044808 [0,2,0,0,0,0|1,0,0]=3 1794 B9R0.24 CNC(=O)CNC(=O)NN MCULE-2152556548 [0,2,0,0,0,0|2,0,0]=4 1795 B9R0.24 CNC(=O)CNC(=O)NN MCULE-8948193707 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.24 CNC(=O)NNC(=O)CO MCULE-2379159340 [0,2,0,0,0,0|1,0,0]=3 1797 B9R0.24 CNC(=S)NNC(=O)CO MCULE-1445370537 [0,2,0,0,0,0|1,1,0]=4 1798 B9R0.24 COC(=O)/C=C/C(=O)OC MCULE-4208733984 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.24 COC(=O)/N=N/C(=O)OC MCULE-3672642911 [0,2,0,0,0,0|1,0,1]=4 1800 B9R0.24 COC(=O)C#CC(=O)OC MCULE-2522916991 [0,2,0,0,0,0|1,0,1]=4 1801 B9R0.24 COC(=O)C=CC(=O)OC MCULE-8277820773 [0,2,0,0,0,0|1,0,1]=4 1802 B9R0.24 COC(=O)CCC(=O)CBr MCULE-7044639446 [0,2,0,0,0,0|1,0,0]=3 1803 B9R0.24 COC(=O)CCC(=O)CCl MCULE-4430497907 [0,2,0,0,0,0|1,0,0]=3 1804 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,2,0,0,0,0|1,0,0]=3 1805 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,2,0,0,0,0|1,0,0]=3 1806 B9R0.24 COC(=O)CCC(=O)OC MCULE-1133524094 [0,2,0,0,0,0|1,0,0]=3 1807 B9R0.24 COC(=O)CCS(=O)OC MCULE-1471943569 [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.24 COC(=O)CNC(=O)CCl MCULE-6457273538 [0,2,0,0,0,0|0,0,0]=2 1809 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,2,0,0,0,0|0,0,0]=2 1810 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,2,0,0,0,0|0,0,0]=2 1811 B9R0.24 COC(=O)CNC(=O)OC MCULE-1305795476 [0,2,0,0,0,0|0,0,0]=2 1812 B9R0.24 COC(=O)N=NC(=O)OC MCULE-9355928501 [0,2,0,0,0,0|1,0,1]=4 1813 B9R0.24 COC(=O)NNC(=N)CCl MCULE-4057549237 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.24 COC(=O)NNC(=O)OC MCULE-3681044847 [0,2,0,0,0,0|1,0,0]=3 1815 B9R0.24 O=C(CCl)NCC(O)CO MCULE-8204242344 [0,2,0,0,0,0|0,0,2]=4 1816 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,2,0,0,0,0|1,0,0]=3 1817 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [0,2,0,0,0,0|1,0,1]=4 1818 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,2,0,0,0,0|1,0,1]=4 1819 B9R0.42 C=C(NC(=O)CCl)C(=O)O MCULE-5735536490 [0,2,0,0,0,0|0,0,1]=3 1820 B9R0.42 C=C(NC(=O)CN)C(=O)O MCULE-8924892837 [0,2,0,0,0,0|0,0,1]=3 1821 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [0,2,0,0,0,0|0,0,1]=3 1822 B9R0.42 CC(NC(=O)CCl)C(=O)O MCULE-6899086052 [0,2,0,0,0,0|0,0,0]=2 1823 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-2418100977 [0,2,0,0,0,0|1,0,0]=3 1824 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-5562877537 [0,2,0,0,0,0|1,0,0]=3 1825 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,2,0,0,0,0|0,0,0]=2 1826 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,2,0,0,0,0|1,0,0]=3 1827 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,2,0,0,0,0|1,0,0]=3 1828 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [0,2,0,0,0,0|0,0,0]=2 1829 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [0,2,0,0,0,0|0,0,0]=2 1830 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,2,0,0,0,0|1,0,0]=3 1831 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,2,0,0,0,0|1,0,0]=3 1832 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,2,0,0,0,0|1,0,0]=3 1833 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,2,0,0,0,0|1,0,0]=3 1834 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,2,0,0,0,0|1,0,0]=3 1835 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,2,0,0,0,0|1,0,0]=3 1836 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,2,0,0,0,0|1,0,1]=4 1837 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [0,2,0,0,0,0|1,0,0]=3 1838 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,2,0,0,0,0|1,0,0]=3 1839 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,2,0,0,0,0|1,0,0]=3 1840 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,2,0,0,0,0|1,0,0]=3 1841 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,2,0,0,0,0|1,0,0]=3 1842 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,2,0,0,0,0|1,0,0]=3 1843 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,2,0,0,0,0|1,0,0]=3 1844 B9R0.42 COC(=O)CN(C)C(=O)Cl MCULE-2845541726 [0,2,0,0,0,0|1,0,0]=3 1845 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,2,0,0,0,0|1,0,0]=3 1847 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,2,0,0,0,0|1,0,0]=3 1848 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,2,0,0,0,0|1,0,0]=3 1849 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,2,0,0,0,0|1,0,0]=3 1850 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,2,0,0,0,0|1,0,0]=3 1851 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,2,0,0,0,0|1,0,0]=3 1852 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,2,0,0,0,0|1,0,0]=3 1853 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,2,0,0,0,0|1,0,0]=3 1854 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,2,0,0,0,0|1,0,0]=3 1855 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,2,0,0,0,0|1,0,0]=3 1856 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,2,0,0,0,0|1,0,0]=3 1857 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,2,0,0,0,0|1,0,0]=3 1858 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,2,0,0,0,0|1,0,0]=3 1859 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,2,0,0,0,0|1,0,0]=3 1860 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,2,0,0,0,0|0,0,0]=2 1861 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,2,0,0,0,0|0,0,0]=2 1862 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,2,0,0,0,0|0,0,0]=2 1863 B9R0.42 C[C@H](NC(=O)CBr)C(=O)O MCULE-2038149065 [0,2,0,0,0,0|0,0,0]=2 1864 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-3478867157 [0,2,0,0,0,0|0,0,0]=2 1865 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-8272505742 [0,2,0,0,0,0|0,0,0]=2 1866 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-1477107832 [0,2,0,0,0,0|1,0,0]=3 1867 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-7070402577 [0,2,0,0,0,0|1,0,0]=3 1868 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,2,0,0,0,0|0,0,0]=2 1869 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|1,0,0]=3 1870 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|1,0,0]=3 1871 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,2,0,0,0,0|2,0,0]=4 1872 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,2,0,0,0,0|0,0,0]=2 1873 B9R0.43 COC(CNC(=O)C)OC MCULE-6424703856 [0,2,0,0,0,0|0,0,2]=4 1874 B9R0.48 C=C(C)CCC(=O)OCC MCULE-1518145690 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.48 CC(=O)NNC(=O)CC#N MCULE-9515396133 [0,2,0,0,0,0|2,0,0]=4 1876 B9R0.48 CC(=O)NNC(=O)CCCl MCULE-7221468890 [0,2,0,0,0,0|2,0,0]=4 1877 B9R0.48 CC=CC(=O)NCC(=O)O MCULE-3127874630 [0,2,0,0,0,0|0,0,0]=2 1878 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,2,0,0,0,0|1,0,0]=3 1880 B9R0.48 CCCC(=O)NCC(=O)N MCULE-4903049688 [0,2,0,0,0,0|1,0,0]=3 1881 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [0,2,0,0,0,0|0,0,0]=2 1882 B9R0.48 CCNC(=O)C=CC(=O)O MCULE-3469131343 [0,2,0,0,0,0|1,0,1]=4 1883 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,2,0,0,0,0|1,0,0]=3 1884 B9R0.48 CCNC(=S)NCC(=O)O MCULE-3996581742 [0,2,0,0,0,0|0,1,0]=3 1885 B9R0.48 CCOC(=O)/C=C/C(=O)C MCULE-1277426448 [0,2,0,0,0,0|1,0,1]=4 1886 B9R0.48 CCOC(=O)/C=C/C(=O)O MCULE-2354207944 [0,2,0,0,0,0|1,0,1]=4 1887 B9R0.48 CCOC(=O)/C=C\C(=O)O MCULE-9139116808 [0,2,0,0,0,0|1,0,1]=4 1888 B9R0.48 CCOC(=O)C=CC(=O)C MCULE-7029387078 [0,2,0,0,0,0|1,0,1]=4 1889 B9R0.48 CCOC(=O)C=CC(=O)O MCULE-7475947730 [0,2,0,0,0,0|1,0,1]=4 1890 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [0,2,0,0,0,0|1,0,0]=3 1891 B9R0.48 CCOC(=O)CCC(=O)Cl MCULE-6113832364 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.48 CCOC(=O)CCC(=O)N MCULE-4243878001 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,2,0,0,0,0|1,0,0]=3 1894 B9R0.48 CCOC(=O)CNC(=O)C MCULE-3012556062 [0,2,0,0,0,0|0,0,0]=2 1895 B9R0.48 CCOC(=O)CNC(=O)N MCULE-5545074396 [0,2,0,0,0,0|1,0,0]=3 1896 B9R0.48 CCOC(=O)CNC(C)C MCULE-2512915227 [0,2,0,0,0,0|1,0,1]=4 1897 B9R0.48 CCOC(=O)CNC(C)C MCULE-6227741071 [0,2,0,0,0,0|1,0,1]=4 1898 B9R0.48 CCOC(=O)COC(=O)C MCULE-1796111350 [0,2,0,0,0,0|1,0,0]=3 1899 B9R0.48 CCOC(=O)NCC(=O)O MCULE-6050328577 [0,2,0,0,0,0|0,0,0]=2 1900 B9R0.48 CCOC(=O)NCC(C)O MCULE-7884037300 [0,2,0,0,0,0|1,0,1]=4 1901 B9R0.48 CCOC(=S)SCC(=O)O MCULE-8546838454 [0,2,0,0,0,0|1,1,0]=4 1902 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [0,2,0,0,0,0|0,0,0]=2 1903 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [0,2,0,0,0,0|0,0,2]=4 1904 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [0,2,0,0,0,0|0,0,2]=4 1905 B9R0.48 N#CCC(=O)CCC(=O)O MCULE-9068617053 [0,2,0,0,0,0|1,0,0]=3 1906 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,2,0,0,0,0|0,0,0]=2 1907 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,2,0,0,0,0|0,0,0]=2 1908 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.64 CCS(=O)(=O)NCC(=O)O MCULE-6269745813 [0,2,0,0,0,0|1,0,0]=3 1910 B9R0.64 CNS(=O)(=O)CCC(=O)O MCULE-4872511761 [0,2,0,0,0,0|2,0,0]=4 1911 B9R0.64 CNS(=O)(=O)NCC(=O)O MCULE-3765913828 [0,2,0,0,0,0|1,0,0]=3 1912 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.10 CN(CC(=O)Cl)S(=O)(=O)C MCULE-1380055833 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.10 CN(CC(=O)O)S(=O)(=O)C MCULE-6401759445 [0,2,0,0,0,0|1,0,0]=3 1915 B9R0.10 CN(CC(=O)O)S(=O)(=O)N MCULE-9026718715 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,2,0,0,0,0|1,0,0]=3 1920 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,2,0,0,0,0|1,0,0]=3 1921 B9R0.11 CC(=O)NC(C)(C)C(=O)O MCULE-7910205661 [0,2,0,0,0,0|0,0,0]=2 1922 B9R0.11 CC(=O)OC(C)(C)C(=O)Br MCULE-1873853072 [0,2,0,0,0,0|2,0,0]=4 1923 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl MCULE-8604882443 [0,2,0,0,0,0|2,0,0]=4 1924 B9R0.11 CC(=O)OC(C)(C)C(=O)O MCULE-7786541244 [0,2,0,0,0,0|1,0,0]=3 1925 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,2,0,0,0,0|2,0,0]=4 1926 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [0,2,0,0,0,0|1,0,0]=3 1927 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [0,2,0,0,0,0|1,0,0]=3 1928 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,2,0,0,0,0|2,0,0]=4 1931 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,2,0,0,0,0|2,0,0]=4 1934 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,2,0,0,0,0|2,0,0]=4 1936 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,2,0,0,0,0|2,0,0]=4 1938 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,2,0,0,0,0|2,0,0]=4 1939 B9R0.39 CC(=O)NC(C#N)C(=O)N MCULE-7779090279 [0,2,0,0,0,0|1,0,0]=3 1940 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,2,0,0,0,0|0,0,0]=2 1941 B9R0.39 CC(=O)NC(CS)C(=O)N MCULE-2256527758 [0,2,0,0,0,0|1,0,0]=3 1942 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [0,2,0,0,0,0|0,0,0]=2 1943 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [0,2,0,0,0,0|0,0,0]=2 1944 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,2,0,0,0,0|0,0,0]=2 1945 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,2,0,0,0,0|0,0,0]=2 1946 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-1208846063 [0,2,0,0,0,0|1,0,0]=3 1947 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-2389070545 [0,2,0,0,0,0|1,0,0]=3 1948 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [0,2,0,0,0,0|0,0,0]=2 1949 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [0,2,0,0,0,0|0,0,0]=2 1950 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,2,0,0,0,0|0,0,0]=2 1951 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [0,2,0,0,0,0|0,0,0]=2 1952 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [0,2,0,0,0,0|0,0,0]=2 1953 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,2,0,0,0,0|2,0,0]=4 1954 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,2,0,0,0,0|2,0,0]=4 1955 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [0,2,0,0,0,0|0,0,0]=2 1956 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [0,2,0,0,0,0|0,0,0]=2 1957 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,2,0,0,0,0|1,0,0]=3 1958 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7235932783 [0,2,0,0,0,0|1,0,1]=4 1959 B9R0.39 CCC(NC(C)C)C(=O)O MCULE-7934342287 [0,2,0,0,0,0|1,0,1]=4 1960 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [0,2,0,0,0,0|0,0,0]=2 1961 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [0,2,0,0,0,0|0,0,0]=2 1962 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,2,0,0,0,0|2,0,0]=4 1963 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,2,0,0,0,0|2,0,0]=4 1965 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,2,0,0,0,0|2,0,0]=4 1968 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,2,0,0,0,0|2,0,0]=4 1969 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,2,0,0,0,0|2,0,0]=4 1971 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,2,0,0,0,0|2,0,0]=4 1972 B9R0.39 N=C(N)N[C@@H](CS)C(=O)O MCULE-8761842896 [0,2,0,0,0,0|2,0,0]=4 1973 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,2,0,0,0,0|1,0,0]=3 1974 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,2,0,0,0,0|1,0,0]=3 1975 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,2,0,0,0,0|1,0,0]=3 1976 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,2,0,0,0,0|2,0,0]=4 1977 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,2,0,0,0,0|2,0,0]=4 1978 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,2,0,0,0,0|1,0,0]=3 1979 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,2,0,0,0,0|2,0,0]=4 1980 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [0,2,0,0,0,0|2,0,0]=4 1981 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8104914924 [0,2,0,0,0,0|1,0,1]=4 1982 B9R0.57 CC(NC(C)(C)C)C(=O)O MCULE-8686537841 [0,2,0,0,0,0|1,0,1]=4 1983 B9R0.57 CC(NS(=O)(=O)C)C(=O)O MCULE-2056263094 [0,2,0,0,0,0|1,0,0]=3 1984 B9R0.57 CC(OS(=O)(=O)C)C(=O)O MCULE-6814271322 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.57 C[C@@H](OS(=O)(=O)C)C(=O)O MCULE-3187136828 [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-2778053479 [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-4590226415 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [0,2,0,0,0,0|2,0,0]=4 1991 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,2,0,0,0,0|0,0,0]=2 1992 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,2,0,0,0,0|2,0,0]=4 1993 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,2,0,0,0,0|2,0,0]=4 1999 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,2,0,0,0,0|2,0,0]=4 2000 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,2,0,0,0,0|2,0,0]=4 2022 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,2,0,0,0,0|2,0,0]=4 2029 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,2,0,0,0,0|2,0,0]=4 2030 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,2,0,0,0,0|2,0,0]=4 2032 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,2,0,0,0,0|2,0,0]=4 2036 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,2,0,0,0,0|2,0,0]=4 2037 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,2,0,0,0,0|2,0,0]=4 2039 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,2,0,0,0,0|2,0,0]=4 2040 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,2,0,0,0,0|2,0,0]=4 2041 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,2,0,0,0,0|2,0,0]=4 2043 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,2,0,0,0,0|2,0,0]=4 2044 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,2,0,0,0,0|2,0,0]=4 2045 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,2,0,0,0,0|2,0,0]=4 2046 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,2,0,0,0,0|2,0,0]=4 2047 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [1,0,0,1,0,0|1,0,1]=4 2048 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [1,0,0,1,0,0|1,0,1]=4 2049 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,0,0,1,0,0|0,0,1]=3 2050 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [1,0,0,1,0,0|1,0,1]=4 2051 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,1,0,0|2,0,0]=4 2052 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [1,0,0,1,0,0|2,0,0]=4 2053 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,1,0,0|1,0,0]=3 2054 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,1,0,0|1,0,0]=3 2055 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [1,0,0,1,0,0|1,1,0]=4 2056 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [1,0,0,1,0,0|2,0,0]=4 2057 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [1,0,0,1,0,0|2,0,0]=4 2058 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [1,0,0,1,0,0|1,0,1]=4 2059 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|1,0,1]=4 2060 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,0,0,1,0,0|1,0,1]=4 2061 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|1,0,1]=4 2062 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,0,0,1,0,0|1,0,1]=4 2063 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [1,0,0,1,0,0|1,0,1]=4 2064 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [1,0,0,1,0,0|1,0,1]=4 2065 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|1,0,1]=4 2066 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,0,0,1,0,0|1,0,1]=4 2067 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,0,0,1,0,0|1,0,1]=4 2068 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|1,0,1]=4 2069 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|1,0,1]=4 2070 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [1,0,0,1,0,0|1,0,1]=4 2071 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [1,0,0,1,0,0|1,0,1]=4 2072 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [1,0,0,1,0,0|1,0,1]=4 2073 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [1,0,0,1,0,0|1,0,1]=4 2074 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|1,0,1]=4 2075 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,0,0,1,0,0|1,0,1]=4 2076 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,0,0,1,0,0|1,0,1]=4 2077 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [1,0,0,1,0,0|2,0,0]=4 2078 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [1,0,0,1,0,0|1,0,1]=4 2079 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [1,0,0,1,0,0|1,0,1]=4 2080 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [1,0,0,1,0,0|1,0,1]=4 2081 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [1,0,0,1,0,0|1,0,1]=4 2082 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [1,0,0,1,0,0|1,0,1]=4 2083 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [1,0,0,1,0,0|1,0,1]=4 2084 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [1,0,0,1,0,0|1,0,1]=4 2085 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [1,0,0,1,0,0|1,0,1]=4 2086 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [1,0,0,1,0,0|1,0,1]=4 2087 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [1,0,0,1,0,0|1,0,1]=4 2088 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [1,0,0,1,0,0|1,0,1]=4 2089 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [1,0,0,1,0,0|1,0,1]=4 2090 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [1,0,0,1,0,0|1,0,1]=4 2091 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [1,0,0,1,0,0|1,0,1]=4 2092 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [1,0,0,1,0,0|1,0,1]=4 2093 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [1,0,0,1,0,0|1,0,1]=4 2094 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,1,0,0|0,0,1]=3 2095 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [1,0,0,1,0,0|1,0,1]=4 2096 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [1,0,0,1,0,0|1,0,1]=4 2097 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [1,0,0,1,0,0|1,0,1]=4 2098 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [1,0,0,1,0,0|1,0,1]=4 2099 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [1,0,0,1,0,0|1,0,0]=3 2100 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,0,0,1,0,0|0,0,1]=3 2101 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [1,0,0,1,0,0|0,1,1]=4 2102 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|1,0,1]=4 2103 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|1,0,1]=4 2104 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [1,0,0,1,0,0|1,0,0]=3 2105 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [1,0,0,1,0,0|2,0,0]=4 2106 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,0,0,1,0,0|1,0,0]=3 2107 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|1,0,1]=4 2108 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,0,0,1,0,0|0,0,0]=2 2109 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,0,0,1,0,0|1,0,0]=3 2110 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [1,0,0,1,0,0|0,0,0]=2 2111 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [1,0,0,1,0,0|0,1,0]=3 2112 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [1,0,0,1,0,0|1,1,0]=4 2113 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [1,0,0,1,0,0|0,2,0]=4 2114 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [1,0,0,1,0,0|1,0,0]=3 2115 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [1,0,0,1,0,0|2,0,0]=4 2116 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [1,0,0,1,0,0|2,0,0]=4 2117 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [1,0,0,1,0,0|2,0,0]=4 2118 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,0,0,1,0,0|0,0,1]=3 2119 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,0,0,1,0,0|0,0,1]=3 2120 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|1,0,1]=4 2121 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|1,0,1]=4 2122 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,0,0,1,0,0|0,0,1]=3 2123 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,0,0,1,0,0|0,0,1]=3 2124 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [1,0,0,1,0,0|0,1,1]=4 2125 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [1,0,0,1,0,0|0,1,1]=4 2126 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|1,0,1]=4 2127 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|1,0,1]=4 2128 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,0,0,1,0,0|1,1,0]=4 2129 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [1,0,0,1,0,0|2,0,0]=4 2130 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,0,0,1,0,0|2,0,0]=4 2131 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [1,0,0,1,0,0|1,0,0]=3 2132 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [1,0,0,1,0,0|1,0,1]=4 2133 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,1,0,0|1,0,1]=4 2134 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,1,0,0|1,0,1]=4 2135 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [1,0,0,1,0,0|1,0,1]=4 2136 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [1,0,0,1,0,0|1,0,1]=4 2137 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,1,0,0|1,0,1]=4 2138 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [1,0,0,1,0,0|2,0,0]=4 2139 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,0,0,1,0,0|1,0,1]=4 2140 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,1,0,0|0,0,1]=3 2141 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,1,0,0|0,0,1]=3 2142 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,1,0,0|0,0,1]=3 2143 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,1,0,0|1,0,1]=4 2144 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [1,0,0,1,0,0|0,1,1]=4 2145 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,1,0,0|0,1,1]=4 2146 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [1,0,0,1,0,0|1,0,1]=4 2147 B7R1.3 S=C1COCCN1 MCULE-1743172522 [1,0,0,1,0,0|0,1,1]=4 2148 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [1,0,0,1,0,0|2,0,0]=4 2149 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [1,0,0,1,0,0|1,0,0]=3 2150 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [1,0,0,1,0,0|1,0,1]=4 2151 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,1,0,0|1,0,1]=4 2152 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [1,0,0,1,0,0|1,0,1]=4 2153 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,1,0,0|0,0,1]=3 2154 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,1,0,0|0,0,1]=3 2155 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,1,0,0|0,0,1]=3 2156 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,1,0,0|0,0,1]=3 2157 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,1,0,0|0,0,1]=3 2158 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|1,0,1]=4 2159 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|1,0,0]=3 2160 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|1,0,1]=4 2161 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|1,0,1]=4 2162 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|1,0,1]=4 2163 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|1,0,1]=4 2164 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|1,0,1]=4 2165 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|1,0,1]=4 2166 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|1,0,1]=4 2167 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|1,0,1]=4 2168 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|1,0,1]=4 2169 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|1,0,1]=4 2170 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|1,0,1]=4 2171 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|0,0,1]=3 2172 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [1,0,0,1,0,0|1,0,0]=3 2173 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [1,0,0,1,0,0|1,0,1]=4 2174 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|1,0,1]=4 2175 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|1,0,1]=4 2176 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|1,0,1]=4 2177 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|1,0,1]=4 2178 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|0,0,1]=3 2179 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|0,0,1]=3 2180 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|0,0,1]=3 2181 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|1,0,1]=4 2182 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|1,0,1]=4 2183 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|2,0,0]=4 2184 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|2,0,0]=4 2185 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|2,0,0]=4 2186 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|2,0,0]=4 2187 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|0,0,1]=3 2188 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|0,0,1]=3 2189 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|0,0,1]=3 2190 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|0,0,1]=3 2191 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|1,0,1]=4 2192 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|1,0,1]=4 2193 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|0,0,1]=3 2194 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|0,0,1]=3 2195 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|0,0,1]=3 2196 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|0,0,1]=3 2197 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|1,0,1]=4 2198 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|1,0,1]=4 2199 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [1,0,0,1,0,0|1,0,1]=4 2200 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|1,0,1]=4 2201 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|2,0,0]=4 2202 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|2,0,0]=4 2203 B7R1.16 O=C1CS(=O)(=O)C1 MCULE-9020745203 [0,0,0,1,1,0|1,0,1]=4 2204 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,1|1,0,0]=3 2205 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,1|2,0,0]=4 2206 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,0,0,1,0,1|1,0,1]=4 2207 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,1|2,0,0]=4 2208 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,1,0,1|1,0,0]=3 2209 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,1,0,1|2,0,0]=4 2210 B9R1.35 CC(=O)N1C=CC(=N1)O MCULE-4892767932 [0,0,0,1,0,1|1,0,1]=4 2211 B9R1.35 CC(=O)N1CCC(=N1)N MCULE-6589962377 [0,0,0,1,0,1|2,0,0]=4 2212 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,0,0,1,0,1|1,0,0]=3 2213 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,0,0,1,0,1|1,0,1]=4 2214 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,0,0,1,0,1|1,0,1]=4 2215 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,0,0,1,0,1|1,0,1]=4 2216 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,0,0,1,0,1|1,0,1]=4 2217 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,0,0,1,0,1|1,0,1]=4 2218 B9R1.35 CC(=O)N1CSC(=N1)N MCULE-1769702422 [0,0,0,1,0,1|2,0,0]=4 2219 B9R1.35 CC1=CC(=CN1)C(=O)O MCULE-4982775315 [0,0,0,1,0,1|1,0,1]=4 2220 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,1|2,0,0]=4 2221 B9R1.35 CC1=CNC(=C1)C(=O)O MCULE-7059587168 [0,0,0,1,0,1|1,0,1]=4 2222 B9R1.35 CC1=CNC(=N1)C(=O)O MCULE-4906334606 [0,0,0,1,0,1|1,0,1]=4 2223 B9R1.35 CC1=CNC(=N1)C(=O)O MCULE-7347586263 [0,0,0,1,0,1|1,0,1]=4 2224 B9R1.35 CC1=NC(=CN1)C(=O)O MCULE-9687548902 [0,0,0,1,0,1|1,0,1]=4 2225 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,1|2,0,0]=4 2226 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,1|2,0,0]=4 2227 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,1,0,1|2,0,0]=4 2228 B9R1.35 CC1=NNC(=C1)C(=O)O MCULE-9971793748 [0,0,0,1,0,1|1,0,1]=4 2229 B9R1.35 CC1=NNC(=N1)C(=O)O MCULE-4888726994 [0,0,0,1,0,1|1,0,1]=4 2230 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,0,0,1,0,1|1,0,1]=4 2231 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,0,0,1,0,1|1,0,1]=4 2232 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,1|1,0,1]=4 2233 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,1|1,0,1]=4 2234 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,1|1,0,1]=4 2235 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,1|1,0,1]=4 2236 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,1|1,0,1]=4 2237 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,1|1,0,1]=4 2238 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,1|1,0,1]=4 2239 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,1|1,0,1]=4 2240 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,1|1,0,1]=4 2241 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,1|1,0,1]=4 2242 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [0,0,0,1,0,1|1,0,0]=3 2243 B9R1.35 NC1=NNC(N1)C(=O)O MCULE-8622860614 [0,0,0,1,0,1|2,0,0]=4 2244 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,1|1,0,1]=4 2245 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,1|1,0,1]=4 2246 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,1|1,0,1]=4 2247 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,1|1,0,1]=4 2248 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,1|1,0,1]=4 2249 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,1|1,0,1]=4 2250 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,1|1,0,1]=4 2251 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,1|1,0,1]=4 2252 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,1|1,0,1]=4 2253 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,1|1,0,1]=4 2254 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,1|1,0,1]=4 2255 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,1|1,0,1]=4 2256 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,1|1,0,1]=4 2257 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,1|1,0,1]=4 2258 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,1|1,0,1]=4 2259 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,1|1,0,1]=4 2260 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,1|1,0,1]=4 2261 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,1|1,0,1]=4 2262 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,1|1,0,1]=4 2263 B9R1.35 O=C(O)C1CC(=NO1)Br MCULE-8217813426 [0,0,0,1,0,1|1,0,1]=4 2264 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,1|1,0,1]=4 2265 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,1|1,0,1]=4 2266 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,1|1,0,1]=4 2267 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,1|0,0,2]=4 2268 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,1|0,0,2]=4 2269 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,1|0,1,1]=4 2270 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,1|0,1,1]=4 2271 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,1|0,0,2]=4 2272 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,1|0,1,1]=4 2273 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,1|0,1,1]=4 2274 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,1|1,0,1]=4 2275 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,1|1,0,1]=4 2276 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,1|1,0,1]=4 2277 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,1|1,0,1]=4 2278 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,1|1,0,1]=4 2279 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,1|1,0,1]=4 2280 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,1|0,0,2]=4 2281 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,1|0,0,2]=4 2282 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,1|0,0,2]=4 2283 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,1|0,0,2]=4 2284 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,1|0,0,2]=4 2285 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,1|0,1,1]=4 2286 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,1|0,1,1]=4 2287 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,1|0,1,1]=4 2288 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,1|0,1,1]=4 2289 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,1|1,0,1]=4 2290 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,1|1,0,1]=4 2291 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,1|1,0,1]=4 2292 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,1|1,0,1]=4 2293 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,1|0,0,2]=4 2294 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,1|0,0,2]=4 2295 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,1|0,0,2]=4 2296 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,1|0,0,2]=4 2297 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,1|0,1,1]=4 2298 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,1|0,1,1]=4 2299 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,1|0,1,1]=4 2300 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,1|0,1,1]=4 2301 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,1|0,1,1]=4 2302 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,1|0,1,1]=4 2303 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,1|1,0,1]=4 2304 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,1|1,0,1]=4 2305 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,1|1,0,1]=4 2306 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,1|0,0,2]=4 2307 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,1|0,0,2]=4 2308 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,1|0,0,2]=4 2309 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,1|0,0,2]=4 2310 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,1|0,0,2]=4 2311 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,1|1,0,1]=4 2312 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,1|1,0,1]=4 2313 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,1|1,0,1]=4 2314 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,1|1,0,1]=4 2315 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,1|0,0,2]=4 2316 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,1|0,0,2]=4 2317 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,1|0,0,2]=4 2318 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,1|0,0,2]=4 2319 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,1|1,0,1]=4 2320 B9R1.35 O=C1C=C(NN1)C(=O)O MCULE-2820101826 [0,0,0,1,0,1|0,0,2]=4 2321 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [0,0,0,1,0,1|0,0,1]=3 2322 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,1|0,0,0]=2 2323 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,1|1,0,0]=3 2324 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,1|1,0,0]=3 2325 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,0,0,1,0,1|0,0,0]=2 2326 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,1|1,0,0]=3 2327 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,1|2,0,0]=4 2328 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,1|2,0,0]=4 2329 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,1|2,0,0]=4 2330 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,1|2,0,0]=4 2331 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,1|1,0,0]=3 2332 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,1|1,0,0]=3 2333 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,1|2,0,0]=4 2334 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,1|2,0,0]=4 2335 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,1,0,1|2,0,0]=4 2336 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,1|2,0,0]=4 2337 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,1|2,0,0]=4 2338 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,1|1,0,0]=3 2339 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,1|1,0,0]=3 2340 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,1|2,0,0]=4 2341 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,1|2,0,0]=4 2342 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,1|2,0,0]=4 2343 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,1,0,1|2,0,0]=4 2344 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,1|2,0,0]=4 2345 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,1|2,0,0]=4 2346 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,1|2,0,0]=4 2347 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,1|0,0,0]=2 2348 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,1|0,0,0]=2 2349 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,1|0,0,0]=2 2350 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,1|0,0,0]=2 2351 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,1|0,0,0]=2 2352 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,1|0,0,0]=2 2353 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,1|0,0,0]=2 2354 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,1|0,0,0]=2 2355 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,0,1|1,0,0]=3 2356 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,0,1|1,0,0]=3 2357 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,1|0,0,0]=2 2358 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,1|0,0,0]=2 2359 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,1|0,0,0]=2 2360 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,1|0,0,0]=2 2361 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,1|2,0,0]=4 2362 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,1|2,0,0]=4 2363 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,0,0,1,0,1|1,0,1]=4 2364 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,0,1,0,1|1,0,1]=4 2365 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,1|1,0,0]=3 2366 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,1|1,0,0]=3 2367 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,1|1,0,0]=3 2368 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,1|1,0,0]=3 2369 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,1|1,0,0]=3 2370 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,1|1,0,0]=3 2371 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,1|1,0,0]=3 2372 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,1|1,0,0]=3 2373 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,1|2,0,0]=4 2374 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,1|2,0,0]=4 2375 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,1|2,0,0]=4 2376 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,1|2,0,0]=4 2377 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,1|2,0,0]=4 2378 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,1|2,0,0]=4 2379 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,1|2,0,0]=4 2380 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,1|2,0,0]=4 2381 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,1|0,0,2]=4 2382 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,1,0,1|1,0,1]=4 2383 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,1,0,1|1,0,1]=4 2384 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,1,0,1|0,1,1]=4 2385 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,1,0,1|1,0,1]=4 2386 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,1,0,1|1,0,1]=4 2387 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,1|0,0,2]=4 2388 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,0,0,1,0,1|2,0,0]=4 2389 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,0,1,0,1|2,0,0]=4 2390 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,0,0,1,0,1|1,0,0]=3 2391 B9R1.53 CC(=O)OC1CC(=O)C1 MCULE-7425005472 [0,0,0,1,0,1|2,0,0]=4 2392 B9R1.53 CC(=O)OC1CC(=O)N1 MCULE-7042794483 [0,0,0,1,0,1|1,0,0]=3 2393 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,0,0,1,0,1|1,0,0]=3 2394 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,0,1|0,0,0]=2 2395 B9R1.66 O=C1CS(=O)(=O)CCN1 MCULE-7263537050 [0,0,0,1,0,1|1,0,1]=4 2396 B9R1.85 O=C(O)CCNC1CC1 MCULE-2302148090 [0,0,0,1,0,1|1,0,1]=4 2397 B9R1.85 O=C(O)CCNC1CC1 MCULE-5027011962 [0,0,0,1,0,1|1,0,1]=4 2398 B9R1.85 O=C(O)CNCC1CC1 MCULE-2914571109 [0,0,0,1,0,1|1,0,1]=4 2399 B9R1.85 O=C(O)CNCC1CC1 MCULE-8479764724 [0,0,0,1,0,1|1,0,1]=4 2400 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,0,1|2,0,0]=4 2401 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,1|2,0,0]=4 2402 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,1|2,0,0]=4 2403 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,1|2,0,0]=4 2404 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,1|2,0,0]=4 2405 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,1|2,0,0]=4 2406 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,1|2,0,0]=4 2407 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,1|2,0,0]=4 2408 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,1|2,0,0]=4 2409 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,1|2,0,0]=4 2410 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,1|2,0,0]=4 2411 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,1|2,0,0]=4 2412 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,0,0,1,0,1|1,0,1]=4 2413 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,0,0,1,0,1|1,0,1]=4 2414 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,0,0,1,0,1|1,0,1]=4 2415 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,0,0,1,0,1|1,0,1]=4 2416 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,0,0,1,0,1|1,0,1]=4 2417 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,0,0,1,0,1|1,0,1]=4 2418 B9R1.1 NCC1CNC(=O)CO1 MCULE-1373630821 [0,1,0,1,0,0|1,0,1]=4 2419 B9R1.1 NCC1CNC(=O)CO1 MCULE-2564136433 [0,1,0,1,0,0|1,0,1]=4 2420 B9R1.1 O=C1CCC(CN1)CO MCULE-5019571847 [0,1,0,1,0,0|1,0,1]=4 2421 B9R1.1 O=C1COC(CN1)CBr MCULE-8897613695 [0,1,0,1,0,0|1,0,1]=4 2422 B9R1.1 O=C1COC(CN1)CO MCULE-3703451145 [0,1,0,1,0,0|0,0,2]=4 2423 B9R1.1 O=C1COC(CN1)CO MCULE-5925278805 [0,1,0,1,0,0|0,0,2]=4 2424 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-1871269946 [0,1,0,1,0,0|0,0,2]=4 2425 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-9723228936 [0,1,0,1,0,0|0,0,2]=4 2426 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-2317836867 [0,1,0,1,0,0|0,0,2]=4 2427 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-9180023061 [0,1,0,1,0,0|0,0,2]=4 2428 B9R1.10 CC1(CCC(=O)NC1)O MCULE-7575084639 [0,1,0,1,0,0|1,0,1]=4 2429 B9R1.10 CC1(CNC(=O)CO1)C MCULE-8027766035 [0,1,0,1,0,0|1,0,1]=4 2430 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [0,1,0,1,0,0|2,0,0]=4 2431 B9R1.67 CC(=O)OC1CCC1=O MCULE-2752800385 [0,1,0,1,0,0|2,0,0]=4 2432 B9R1.69 CC1=CC(=O)C(=CN1)O MCULE-1538839877 [0,1,0,1,0,0|1,0,1]=4 2433 B9R1.69 CC1=CC(=O)NNC1=O MCULE-6634066970 [0,1,0,1,0,0|2,0,0]=4 2434 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [0,1,0,1,0,0|2,0,0]=4 2435 B9R1.69 CC1CNC(=O)C(O1)C MCULE-2957841626 [0,1,0,1,0,0|1,0,1]=4 2436 B9R1.69 CC1CNC(=O)CC1=O MCULE-2909713030 [0,1,0,1,0,0|1,0,1]=4 2437 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,1,0,0|1,0,1]=4 2438 B9R1.69 CC1NC(=O)CNC1=O MCULE-3674832613 [0,1,0,1,0,0|1,0,0]=3 2439 B9R1.69 CC1NC(=O)CNC1=O MCULE-9058910414 [0,1,0,1,0,0|1,0,0]=3 2440 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,1,0,1,0,0|1,0,0]=3 2441 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,1,0,1,0,0|1,0,1]=4 2442 B9R1.69 CN1CC(=O)CCC1=O MCULE-3870648341 [0,1,0,1,0,0|1,0,0]=3 2443 B9R1.69 CN1CC(=O)NCC1=O MCULE-2620095873 [0,1,0,1,0,0|1,0,0]=3 2444 B9R1.69 CN1CC(CCC1=O)O MCULE-4021195315 [0,1,0,1,0,0|1,0,1]=4 2445 B9R1.69 CN1CC(CNC1=O)O MCULE-7440023361 [0,1,0,1,0,0|1,0,1]=4 2446 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-2449320004 [0,1,0,1,0,0|1,0,0]=3 2447 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-7629090482 [0,1,0,1,0,0|1,0,0]=3 2448 B9R1.69 C[C@H]1NC(=O)CNC1=O MCULE-5376605309 [0,1,0,1,0,0|1,0,0]=3 2449 B9R1.69 NC1=NC(=O)NCC1=O MCULE-2660856699 [0,1,0,1,0,0|2,0,0]=4 2450 B9R1.69 N[C@H]1C[C@H](CNC1=O)O MCULE-9955363059 [0,1,0,1,0,0|1,0,1]=4 2451 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [0,1,0,1,0,0|1,0,1]=4 2452 B9R1.80 COC(=O)CNC1CC1 MCULE-9357505044 [0,1,0,1,0,0|1,0,1]=4 2453 B9R1.80 COC(=O)CNC1CC1 MCULE-9589370378 [0,1,0,1,0,0|1,0,1]=4 2454 B9R1.82 C=C1CC(C1)C(=O)OC MCULE-8011797750 [0,1,0,1,0,0|2,0,0]=4 2455 B9R1.82 COC(=O)C1CC(=O)C1 MCULE-8671943269 [0,1,0,1,0,0|1,0,0]=3 2456 B9R1.82 COC(=O)N1CC(=O)C1 MCULE-2799623238 [0,1,0,1,0,0|1,0,0]=3 2457 B9R1.82 COC(=O)N1CC(C1)O MCULE-1842609121 [0,1,0,1,0,0|1,0,1]=4 2458 B9R1.82 O=C(CCl)N1CC(C1)O MCULE-3044662085 [0,1,0,1,0,0|1,0,1]=4 2459 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [0,1,0,1,0,0|1,0,1]=4 2460 B9R1.84 O=C(O)CNC1COC1 MCULE-3211874256 [0,1,0,1,0,0|0,0,2]=4 2461 B9R1.84 O=C(O)CNC1COC1 MCULE-8317257994 [0,1,0,1,0,0|0,0,2]=4 2462 B9R1.95 CC(=O)N1CC(C1)CO MCULE-9848922086 [0,1,0,1,0,0|1,0,1]=4 2463 B9R1.125 CC1(CNC(=O)C1)CO MCULE-1633429143 [0,1,0,1,0,0|1,0,1]=4 2464 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,1,0,1,0,0|2,0,0]=4 2465 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [0,1,0,1,0,0|1,0,1]=4 2466 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [0,1,0,1,0,0|1,0,1]=4 2467 B9R1.137 CN(CC(=O)O)C1CC1 MCULE-7502980024 [0,1,0,1,0,0|1,0,1]=4 2468 B9R1.152 C=C(C)C1(CC(=O)N1)C MCULE-1394575254 [0,1,0,1,0,0|2,0,0]=4 2469 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [0,1,0,1,0,0|2,0,0]=4 2470 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,1,0,1,0,0|2,0,0]=4 2471 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,1,0,1,0,0|1,0,0]=3 2472 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MCULE-7280424141 [0,1,0,1,0,0|2,0,0]=4 2473 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,2,0|1,0,1]=4 2474 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,2,0|2,0,0]=4 2475 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,2,0|2,0,0]=4 2476 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,2,0|2,0,0]=4 2477 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,2,0|1,0,0]=3 2478 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,2,0|1,0,1]=4 2479 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,2,0|1,0,1]=4 2480 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,2,0|1,0,1]=4 2481 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,2,0|1,0,1]=4 2482 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,2,0|1,0,1]=4 2483 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,2,0|1,0,0]=3 2484 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,2,0|1,0,0]=3 2485 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,2,0|1,0,0]=3 2486 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,2,0|0,0,0]=2 2487 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,2,0|0,0,1]=3 2488 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,2,0|0,0,1]=3 2489 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,2,0|0,0,1]=3 2490 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,2,0|1,1,0]=4 2491 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,2,0|1,0,1]=4 2492 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,2,0|1,0,1]=4 2493 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,2,0|1,0,1]=4 2494 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,2,0|1,0,1]=4 2495 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,2,0|1,0,1]=4 2496 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,2,0|1,0,1]=4 2497 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,2,0|1,0,1]=4 2498 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,2,0|1,0,1]=4 2499 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,2,0|1,0,1]=4 2500 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,2,0|1,0,1]=4 2501 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,2,0|1,0,1]=4 2502 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,2,0|0,0,2]=4 2503 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,2,0|0,0,2]=4 2504 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,2,0|0,1,1]=4 2505 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,2,0|2,0,0]=4 2506 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,2,0|1,0,1]=4 2507 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,2,0|1,0,1]=4 2508 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,2,0|1,0,1]=4 2509 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,2,0|1,0,1]=4 2510 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,2,0|1,0,1]=4 2511 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,2,0|1,0,1]=4 2512 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,2,0|0,0,2]=4 2513 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,2,0|0,0,2]=4 2514 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,2,0|1,0,1]=4 2515 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,2,0|1,0,1]=4 2516 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,2,0|1,0,1]=4 2517 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,2,0|1,0,1]=4 2518 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,2,0|1,0,1]=4 2519 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,2,0|1,0,1]=4 2520 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,2,0|1,0,1]=4 2521 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,2,0|1,0,1]=4 2522 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,2,0|0,0,2]=4 2523 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,2,0|0,0,2]=4 2524 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,2,0|2,0,0]=4 2525 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,2,0|1,0,0]=3 2526 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,2,0|1,0,1]=4 2527 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,2,0|1,0,1]=4 2528 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,2,0|2,0,0]=4 2529 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,2,0|2,0,0]=4 2530 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,2,0|1,0,0]=3 2531 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,2,0|1,0,0]=3 2532 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,2,0|1,0,0]=3 2533 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,2,0|1,0,0]=3 2534 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,2,0|1,0,0]=3 2535 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,2,0|1,0,0]=3 2536 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,2,0|1,0,0]=3 2537 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,2,0|1,0,0]=3 2538 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,2,0|1,0,0]=3 2539 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,2,0|1,0,0]=3 2540 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,2,0|1,0,0]=3 2541 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,2,0|1,0,1]=4 2542 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,2,0|1,0,1]=4 2543 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,2,0|1,0,1]=4 2544 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,2,0|1,0,1]=4 2545 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,2,0|1,0,1]=4 2546 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,2,0|1,0,1]=4 2547 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,2,0|1,0,1]=4 2548 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,2,0|1,0,1]=4 2549 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,0,0,0,2|2,0,0]=4 2550 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,0,0,0,2|2,0,0]=4 2551 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,0,0,0,2|2,0,0]=4 2552 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,0,0,0,2|1,0,0]=3 2553 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,0,0,0,0,2|2,0,0]=4 2554 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,0,0,0,2|0,0,0]=2 2555 B9R0.55 CC(=O)NCCNC(=O)C MCULE-2725935578 [0,0,0,0,0,2|1,0,0]=3 2556 B9R0.55 CC(=O)NCCSC(=O)C MCULE-4148813739 [0,0,0,0,0,2|1,0,0]=3 2557 B9R0.55 CC(=O)NCCSC(=[NH2+])N MCULE-2138383833 [0,0,0,0,0,2|2,0,0]=4 2558 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,0,0,0,2|1,0,0]=3 2559 B9R0.55 CC(=O)OCCOC(=O)C MCULE-4333627796 [0,0,0,0,0,2|2,0,0]=4 2560 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,0,0,0,2|1,0,0]=3 2561 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,0,0,0,0,2|1,0,1]=4 2562 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,0,0,0,0,2|1,0,1]=4 2563 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,0,0,0,0,2|1,0,1]=4 2564 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,0,0,0,0,2|1,0,1]=4 2565 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,0,0,0,0,2|2,0,0]=4 2566 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,0,0,0,0,2|2,0,0]=4 2567 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,0,0,0,2|2,0,0]=4 2568 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,0,0,0,2|2,0,0]=4 2569 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,0,0,0,0,2|2,0,0]=4 2570 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,0,0,0,2|2,0,0]=4 2571 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,0,0,0,2|1,0,0]=3 2572 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,0,0,0,2|2,0,0]=4 2573 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,0,0,0,2|2,0,0]=4 2574 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,0,0,0,2|2,0,0]=4 2575 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,0,0,0,2|2,0,0]=4 2576 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,0,0,0,2|2,0,0]=4 2577 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,0,0,0,2|2,0,0]=4 2578 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,0,0,0,2|2,0,0]=4 2579 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,0,0,0,2|2,0,0]=4 2580 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,0,0,0,2|2,0,0]=4 2581 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,0,0,0,2|1,0,0]=3 2582 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,0,0,0,2|2,0,0]=4 2583 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,0,0,0,2|2,0,0]=4 2584 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,0,0,0,2|2,0,0]=4 2585 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,0,0,0,2|2,0,0]=4 2586 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,0,0,0,2|2,0,0]=4 2587 B9R0.55 [NH2+]=C(N)SCCNC(=O)C MCULE-9062257097 [0,0,0,0,0,2|2,0,0]=4