0 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 C=C(C)CCN(=O)=O MCULE-5685156382 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 C=C(C)CNC(=S)N MCULE-3514300945 [0,0,0,0,0,0|3,1,0]=4 12 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,0|0,0,2]=2 20 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,0|0,0,2]=2 23 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,0|0,0,0]=0 26 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,0|0,0,1]=1 27 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,0,0,0,0,0|1,0,1]=2 30 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.6 CC(=O)NC=C(Cl)Cl MCULE-8744236684 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.6 CC(=O)NNC(=S)N MCULE-4923078693 [0,0,0,0,0,0|3,1,0]=4 47 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,0|1,0,0]=1 49 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,0,0,0,0,0|2,1,0]=3 50 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,0|1,0,0]=1 55 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,0|1,1,0]=2 56 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,0,0,0,0,0|1,0,3]=4 57 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,0,0,0,0,0|1,0,3]=4 58 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,0,0,0,0,0|1,0,3]=4 59 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,0|1,0,1]=2 65 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [0,0,0,0,0,0|2,1,1]=4 66 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [0,0,0,0,0,0|2,0,2]=4 67 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,0|2,0,1]=3 75 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,0|2,0,1]=3 78 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,0|2,0,1]=3 79 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,0|1,0,1]=2 81 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,0|1,0,1]=2 82 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,0|0,0,2]=2 85 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,0|0,0,3]=3 86 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,0,0,0,0,0|1,0,3]=4 87 B7R0.6 CC(O)CCN(C)C MCULE-7246080230 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,0|0,1,1]=2 89 B7R0.6 CN(C)CCC(=N)N MCULE-3452380324 [0,0,0,0,0,0|4,0,0]=4 90 B7R0.6 CN(C)CCC(=N)N MCULE-7661734671 [0,0,0,0,0,0|4,0,0]=4 91 B7R0.6 CN(C)CCC(=N)N MCULE-9745909230 [0,0,0,0,0,0|4,0,0]=4 92 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,0|2,0,0]=2 93 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,0|2,0,0]=2 94 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,0|1,0,0]=1 95 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,0|1,0,1]=2 96 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,0|1,0,1]=2 97 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,0|1,0,1]=2 98 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,0|1,0,1]=2 99 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,0,0,0,0,0|1,0,3]=4 100 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,0,0,0,0,0|1,0,3]=4 101 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,0,0,0,0,0|1,0,3]=4 102 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,0|1,0,2]=3 103 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,0|1,0,1]=2 104 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,0|1,0,1]=2 105 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,0,0,0,0,0|1,0,3]=4 106 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,0,0,0,0,0|1,0,3]=4 107 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,0|2,0,0]=2 108 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,0|2,0,0]=2 109 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,0,0,0,0,0|2,0,1]=3 110 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,0|3,0,0]=3 111 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,0,0,0,0,0|4,0,0]=4 113 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,0|3,0,0]=3 115 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,0|3,0,0]=3 116 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,0,0,0,0,0|1,0,2]=3 118 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,0,0,0,0,0|1,0,2]=3 119 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,0|4,0,0]=4 120 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,0,0,0,0,0|2,0,2]=4 122 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,0,0,0,0,0|1,0,2]=3 123 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,0,0,0,0,0|2,0,0]=2 124 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,0|1,0,0]=1 125 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,0,0,0,0,0|3,1,0]=4 126 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,0|4,0,0]=4 127 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [0,0,0,0,0,0|4,0,0]=4 129 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,0|2,0,0]=2 130 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,0|2,1,0]=3 131 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,0,0,0,0,0|2,0,2]=4 132 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,0,0,0,0,0|2,0,2]=4 133 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,0,0,0,0,0|2,0,0]=2 134 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,0|1,0,2]=3 135 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,0|1,0,2]=3 136 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,0|1,0,2]=3 137 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,0|1,0,2]=3 138 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,0|1,0,2]=3 139 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,0|1,0,2]=3 140 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,0|1,0,2]=3 141 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,0|1,0,2]=3 142 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,0|1,0,2]=3 143 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,0|2,0,1]=3 144 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,0|1,0,0]=1 145 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,0|1,0,0]=1 146 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,0|2,0,1]=3 147 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,0|2,0,0]=2 148 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,0|3,0,1]=4 149 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,0|3,0,1]=4 150 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,0|3,0,0]=3 151 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,0,0,0,0,0|1,0,3]=4 152 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,0,0,0,0,0|1,0,2]=3 153 B7R0.6 O=C([O-])C#CC(=O)[O-] MCULE-8160569506 [0,0,0,0,0,0|1,0,3]=4 154 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,0,0,0,0,0|1,0,3]=4 155 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,0|1,0,0]=1 156 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,0,0,0,0,0|1,0,1]=2 157 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|1,0,1]=3 159 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|1,0,2]=4 161 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|0,0,2]=3 162 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|0,0,3]=4 163 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|1,0,1]=3 166 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|1,0,1]=3 167 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|0,0,1]=2 168 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.4 C=C(C)CCC#N MCULE-9953519474 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|1,0,1]=3 173 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|1,0,2]=4 174 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,0,0,0,0,0|0,0,3]=4 175 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|0,0,3]=4 176 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,0,0,0,0,0|0,0,3]=4 177 B6R0.4 C=CCCB(O)O MCULE-9431650735 [1,0,0,0,0,0|1,0,2]=4 178 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|1,0,0]=2 182 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|1,0,1]=3 183 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|0,0,1]=2 185 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.4 C=CCCC(C)C MCULE-7128249655 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.4 C=CCCC(C)O MCULE-3388106789 [1,0,0,0,0,0|1,0,2]=4 188 B6R0.4 C=CCCN(=O)=O MCULE-9645435231 [1,0,0,0,0,0|1,0,2]=4 189 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [1,0,0,0,0,0|1,0,2]=4 190 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [1,0,0,0,0,0|1,0,2]=4 191 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [1,0,0,0,0,0|1,0,2]=4 192 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,0,0,0,0,0|2,0,0]=3 193 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|1,0,1]=3 198 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|0,0,2]=3 199 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,0,0,0,0,0|1,0,2]=4 200 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,0,0,0,0,0|1,0,2]=4 201 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|1,0,1]=3 203 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|0,0,0]=1 204 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|1,0,1]=3 205 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|1,0,1]=3 206 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|0,0,1]=2 207 B6R0.4 CC(=O)CSC#N MCULE-5774397655 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|1,0,1]=3 212 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|1,1,1]=4 213 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|1,0,1]=3 219 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [1,0,0,0,0,0|2,0,1]=4 220 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.4 CC(C)CCC=O MCULE-9664145623 [1,0,0,0,0,0|1,0,1]=3 225 B6R0.4 CC(C)CCCO MCULE-5797993948 [1,0,0,0,0,0|1,0,2]=4 226 B6R0.4 CC(C)CNC=O MCULE-2156996206 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.4 CC(C)COC=O MCULE-8234906771 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.4 CC(C)OCC=O MCULE-5974054323 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.4 CC(C)SCC=O MCULE-3174965592 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [1,0,0,0,0,0|1,0,2]=4 231 B6R0.4 CC(N)CCCO MCULE-6629535696 [1,0,0,0,0,0|1,0,2]=4 232 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|0,0,3]=4 233 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|0,0,3]=4 234 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|0,0,1]=2 235 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,0,0,0,0,0|3,0,0]=4 236 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|0,0,3]=4 237 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|0,0,3]=4 238 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|1,0,2]=4 239 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|1,0,1]=3 242 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|1,0,1]=3 243 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|1,0,1]=3 244 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|1,0,1]=3 245 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|0,0,1]=2 246 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|0,0,2]=3 247 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|1,1,1]=4 248 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|1,0,2]=4 249 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|1,0,2]=4 250 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|1,0,2]=4 251 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|1,0,2]=4 252 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|1,0,2]=4 253 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|1,0,2]=4 254 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|1,0,2]=4 255 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|1,0,2]=4 256 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|2,0,1]=4 259 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|1,0,1]=3 269 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|1,0,1]=3 270 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|1,0,1]=3 273 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|1,0,1]=3 275 B6R0.4 CN(C)CCC=O MCULE-6830649526 [1,0,0,0,0,0|2,0,0]=3 276 B6R0.4 CN(C)CCCO MCULE-7408728427 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|2,0,0]=3 278 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|2,0,0]=3 279 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|1,0,0]=2 280 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|1,0,0]=2 281 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,0,0,0,0|1,0,2]=4 283 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,0,0,0,0|1,0,2]=4 284 B6R0.4 COCCC(=N)N MCULE-8118559492 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.4 COCCC(=N)N MCULE-9000138086 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|2,0,0]=3 287 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|2,0,0]=3 288 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|2,0,0]=3 289 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|1,0,0]=2 290 B6R0.4 COCCC(C)O MCULE-6536001437 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|2,0,1]=4 294 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.4 CSCCC(=N)N MCULE-3926353306 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.4 CSCCC(=N)N MCULE-4451485733 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|2,0,0]=3 300 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|2,0,0]=3 301 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|1,0,0]=2 302 B6R0.4 CSCCC(C)O MCULE-5934844952 [1,0,0,0,0,0|2,0,1]=4 303 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|2,0,0]=3 305 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [1,0,0,0,0,0|1,0,2]=4 306 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|0,0,3]=4 307 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|1,0,1]=3 308 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,1]=4 311 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|1,0,1]=3 312 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|1,1,1]=4 315 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|1,0,1]=3 320 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|1,0,1]=3 321 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|2,0,0]=3 323 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|1,0,1]=3 326 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|1,0,1]=3 327 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|1,0,1]=3 328 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|1,0,1]=3 329 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|0,1,1]=3 330 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|1,0,2]=4 331 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|1,0,2]=4 332 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|0,0,0]=1 334 B6R0.4 O=CCCC(F)F MCULE-4743402824 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,0,0,0,0,0|1,0,1]=3 336 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|1,0,0]=2 337 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|2,0,1]=4 338 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,1,0,0,0,0|0,0,2]=3 339 B8R0.9 C/C(=N\O)/CCC(C)C MCULE-6160318624 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.9 C=C(C)CNC(=S)OC MCULE-1057647049 [0,1,0,0,0,0|2,1,0]=4 341 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,0|1,0,1]=3 342 B8R0.9 C=CC(=O)COC(=O)C MCULE-1008872923 [0,1,0,0,0,0|2,0,0]=3 343 B8R0.9 C=CC(=O)NCC(=O)N MCULE-4638561901 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,1,0,0,0,0|1,0,1]=3 345 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,1,0,0,0,0|1,0,2]=4 346 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,1,0,0,0,0|1,0,2]=4 347 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,1,0,0,0,0|1,0,2]=4 348 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,1,0,0,0,0|1,0,2]=4 349 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,1,0,0,0,0|1,0,2]=4 350 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,0|0,0,1]=2 351 B8R0.9 CC(=NO)CCC(C)C MCULE-1275882348 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,1,0,0,0,0|2,0,0]=3 353 B8R0.9 CC(=O)NC/C(=N\O)/N MCULE-6544551877 [0,1,0,0,0,0|2,0,0]=3 354 B8R0.9 CC(=O)NCC(=O)NN MCULE-1688027287 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.9 CC(=O)NNC(=O)CBr MCULE-4536348366 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.9 CC(=O)NNC(=O)CCl MCULE-7123176949 [0,1,0,0,0,0|3,0,0]=4 359 B8R0.9 CC(=O)OCC(=O)CCl MCULE-5422965047 [0,1,0,0,0,0|2,0,0]=3 360 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,1,0,0,0,0|1,0,2]=4 364 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,1,0,0,0,0|1,0,1]=3 367 B8R0.9 CC(C)CC/C(=N/O)/N MCULE-5971141379 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.9 CC(C)CCC(=O)CCl MCULE-7122163926 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.9 CC(C)CCC(=O)CN MCULE-2601333978 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.9 CC(C)CCC(=O)CN MCULE-9600279855 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.9 CC(O)CCC(=O)NN MCULE-3743680204 [0,1,0,0,0,0|1,0,2]=4 373 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,1,0,0,0,0|1,0,2]=4 374 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,0|1,0,1]=3 375 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,1,0,0,0,0|0,0,2]=3 376 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,1,0,0,0,0|1,0,0]=2 377 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,0|0,0,0]=1 378 B8R0.9 CCC(=O)CCC(C)C MCULE-3065298823 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,1,0,0,0,0|2,0,0]=3 380 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,0|1,0,0]=2 381 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,0|1,0,1]=3 383 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,0,0,0,0|2,0,1]=4 384 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,0,0,0,0|2,0,1]=4 386 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,1,0,0,0,0|2,0,1]=4 387 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,0|1,0,1]=3 388 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,0|1,0,1]=3 389 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,0|0,0,2]=3 390 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,1,0,0,0,0|0,0,3]=4 391 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,0|2,0,0]=3 392 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,0|2,0,0]=3 393 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,0|1,0,0]=2 394 B8R0.9 CN(C)CCC(=N)NO MCULE-1944835368 [0,1,0,0,0,0|3,0,0]=4 395 B8R0.9 CN(C)CCC(=O)NN MCULE-5716266931 [0,1,0,0,0,0|3,0,0]=4 396 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,1,0,0,0,0|0,0,2]=3 397 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,0|0,0,0]=1 398 B8R0.9 CNC(=O)CNC(=O)C MCULE-3508245247 [0,1,0,0,0,0|2,0,0]=3 399 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,0|1,0,0]=2 400 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [0,1,0,0,0,0|0,0,2]=3 401 B8R0.9 COC(=O)/C=C/C(=O)N MCULE-9155646828 [0,1,0,0,0,0|1,0,2]=4 402 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,1,0,0,0,0|0,0,2]=3 403 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,1,0,0,0,0|0,0,2]=3 404 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [0,1,0,0,0,0|0,0,2]=3 405 B8R0.9 COC(=O)C=CC(=O)Cl MCULE-8442342779 [0,1,0,0,0,0|1,0,2]=4 406 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,1,0,0,0,0|0,0,2]=3 407 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,0|0,0,0]=1 408 B8R0.9 COC(=O)CCC(=O)Cl MCULE-2684320402 [0,1,0,0,0,0|1,0,0]=2 409 B8R0.9 COC(=O)CCC(=O)N MCULE-1154081515 [0,1,0,0,0,0|1,0,0]=2 410 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,0|0,0,0]=1 411 B8R0.9 COC(=O)CCC(=S)N MCULE-4037707510 [0,1,0,0,0,0|1,1,0]=3 412 B8R0.9 COC(=O)CCC(F)F MCULE-4602374642 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.9 COC(=O)CCN(=O)=O MCULE-3836108700 [0,1,0,0,0,0|1,0,1]=3 414 B8R0.9 COC(=O)CCN(C)C MCULE-5967397518 [0,1,0,0,0,0|2,0,0]=3 415 B8R0.9 COC(=O)CCS(=O)O MCULE-4935012562 [0,1,0,0,0,0|1,0,0]=2 416 B8R0.9 COC(=O)CCS(=O)[O-] MCULE-5802411922 [0,1,0,0,0,0|1,0,1]=3 417 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,0|1,0,0]=2 418 B8R0.9 COC(=O)CNC(C)C MCULE-7232154394 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.9 COC(=O)COC(C)C MCULE-8327092817 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.9 COC(=O)CSC(=N)N MCULE-5721573915 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.9 COC(=O)CSC(=N)N MCULE-8534299006 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.9 COC(=O)CSC(C)C MCULE-9054714022 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,0|1,0,0]=2 424 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,0|1,0,0]=2 425 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,1,0,0,0,0|1,0,2]=4 426 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,0|0,0,2]=3 427 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,0|0,1,1]=3 429 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,0|0,0,0]=1 430 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,0|0,0,0]=1 431 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,0|0,0,0]=1 432 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,1,0,0,0,0|2,0,0]=3 433 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,0|1,0,0]=2 434 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,0|1,0,0]=2 435 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,0|1,0,1]=3 436 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,0|1,0,1]=3 437 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,0|1,0,1]=3 438 B8R0.9 NNC(=O)CCC(=O)N MCULE-9710004878 [0,1,0,0,0,0|2,0,0]=3 439 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,1,0,0,0,0|1,0,0]=2 440 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,1,0,0,0,0|1,0,0]=2 441 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,1,0,0,0,0|2,0,0]=3 442 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,1,0,0,0,0|2,0,0]=3 443 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,0|1,0,1]=3 444 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,0|1,0,1]=3 445 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,0|0,0,0]=1 446 B8R0.9 O=C(O)CCC(=O)NO MCULE-2226202964 [0,1,0,0,0,0|1,0,0]=2 447 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,0|1,0,0]=2 448 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,0|1,0,0]=2 449 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,0|1,0,0]=2 450 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,0,0|1,0,2]=4 451 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,1,0,0,0,0|1,0,1]=3 452 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,0|1,0,0]=2 453 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,0,0|1,0,2]=4 454 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,0,0|1,0,2]=4 455 B8R0.23 C=C(Br)CC(N)C(=O)O MCULE-2311003313 [0,1,0,0,0,0|1,0,1]=3 456 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-2061865879 [0,1,0,0,0,0|1,0,1]=3 457 B8R0.23 C=C(Br)C[C@@H](N)C(=O)O MCULE-6617690939 [0,1,0,0,0,0|1,0,1]=3 458 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-2602336550 [0,1,0,0,0,0|1,0,1]=3 459 B8R0.23 C=C(Br)C[C@H](N)C(=O)O MCULE-9274484893 [0,1,0,0,0,0|1,0,1]=3 460 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,0|1,0,0]=2 461 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,0|1,0,0]=2 462 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,0|1,0,0]=2 463 B8R0.23 C=C(C)CC(O)C(=C)C MCULE-6414962881 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,0|1,0,0]=2 465 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,0|1,0,0]=2 466 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,0|1,0,0]=2 467 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,0|1,0,0]=2 468 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,0|1,0,0]=2 469 B8R0.23 C=C(CC(=O)Cl)C(=O)Cl MCULE-5964382878 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,0|1,0,1]=3 471 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,1,0,0,0,0|1,0,2]=4 472 B8R0.23 C=C(CN(C)C)C(=O)O MCULE-9526642183 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-3498417929 [0,1,0,0,0,0|1,0,1]=3 474 B8R0.23 C=C(Cl)CC(N)C(=O)O MCULE-7451890779 [0,1,0,0,0,0|1,0,1]=3 475 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,1,0,0,0,0|1,0,1]=3 476 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,0,0|1,0,2]=4 477 B8R0.23 CC(=NC(=O)N)C(=O)O MCULE-5921330982 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,0|0,0,0]=1 479 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|0,0,0]=1 481 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|0,0,0]=1 483 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,0|0,0,0]=1 484 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,0|0,0,0]=1 485 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,0|1,0,0]=2 486 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|0,0,0]=1 487 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,0|1,0,0]=2 489 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,1,0,0,0,0|2,0,0]=3 491 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,0|1,0,0]=2 492 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,0|1,0,0]=2 493 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-1899336261 [0,1,0,0,0,0|2,0,0]=3 494 B8R0.23 CC(=O)N[C@@H](C)C(=O)Cl MCULE-2242849037 [0,1,0,0,0,0|2,0,0]=3 495 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9322824133 [0,1,0,0,0,0|2,0,0]=3 496 B8R0.23 CC(=O)N[C@@H](C)C(=O)N MCULE-9348799148 [0,1,0,0,0,0|2,0,0]=3 497 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,0|1,0,0]=2 498 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,0|1,0,0]=2 499 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,0|1,0,0]=2 500 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,0|1,0,0]=2 501 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,1,0,0,0,0|2,0,0]=3 502 B8R0.23 CC(=O)OC(C)C(=O)Cl MCULE-9987734584 [0,1,0,0,0,0|2,0,0]=3 503 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,0|1,0,0]=2 504 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,0|1,0,0]=2 505 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-6842776649 [0,1,0,0,0,0|2,0,0]=3 506 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl MCULE-9564324053 [0,1,0,0,0,0|2,0,0]=3 507 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,0|1,0,0]=2 508 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,0|1,0,0]=2 509 B8R0.23 CC(=O)O[C@@H](C)C(=S)N MCULE-3286144331 [0,1,0,0,0,0|2,1,0]=4 510 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-4690787544 [0,1,0,0,0,0|2,0,0]=3 511 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl MCULE-6415823129 [0,1,0,0,0,0|2,0,0]=3 512 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,0|1,0,0]=2 513 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,0|1,0,0]=2 514 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,0,0,0,0|1,0,2]=4 515 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,0|1,0,1]=3 516 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,0|1,0,1]=3 517 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,0|1,0,1]=3 518 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,0|1,0,1]=3 519 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,0|1,0,1]=3 520 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,0|1,0,1]=3 521 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,1,0,0,0,0|1,0,2]=4 522 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,1,0,0,0,0|1,0,1]=3 523 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,1,0,0,0,0|1,0,1]=3 524 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,1,0,0,0,0|1,0,1]=3 525 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,1,0,0,0,0|1,0,1]=3 526 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,1,0,0,0,0|1,0,1]=3 527 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,1,0,0,0,0|1,0,1]=3 530 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,1,0,0,0,0|1,0,1]=3 531 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,1,0,0,0,0|1,0,1]=3 532 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,1,0,0,0,0|1,0,1]=3 533 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,1,0,0,0,0|1,0,1]=3 534 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,1,0,0,0,0|1,0,1]=3 535 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,1,0,0,0,0|1,0,1]=3 537 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,1,0,0,0,0|1,0,1]=3 538 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,1,0,0,0,0|1,0,1]=3 539 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,1,0,0,0,0|1,0,1]=3 540 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,1,0,0,0,0|1,0,1]=3 541 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,1,0,0,0,0|1,0,1]=3 542 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,1,0,0,0,0|1,0,1]=3 543 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,1,0,0,0,0|1,0,1]=3 544 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,1,0,0,0,0|2,0,1]=4 548 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,1,0,0,0,0|1,0,1]=3 549 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,1,0,0,0,0|1,0,1]=3 550 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,1,0,0,0,0|1,0,1]=3 551 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,1,0,0,0,0|1,0,1]=3 552 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,1,0,0,0,0|1,0,1]=3 553 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,1,0,0,0,0|2,0,1]=4 558 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,0|1,0,1]=3 560 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,0|1,0,1]=3 561 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,0|1,0,1]=3 562 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,0|1,0,1]=3 563 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,0|1,0,1]=3 564 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,0|1,0,1]=3 565 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,0|1,0,1]=3 566 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,0|1,0,1]=3 567 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,0|1,0,1]=3 568 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,0,0|2,0,0]=3 569 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|1,0,0]=2 570 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|1,0,0]=2 571 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|1,0,0]=2 572 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,1,0,0,0,0|2,0,0]=3 574 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [0,1,0,0,0,0|2,0,1]=4 576 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,1,0,0,0,0|2,0,0]=3 577 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,0|1,0,0]=2 579 B8R0.23 CC(NC(=N)N)C(=O)O MCULE-1509115617 [0,1,0,0,0,0|3,0,0]=4 580 B8R0.23 CC(NC(=O)N)C(=O)O MCULE-9370944250 [0,1,0,0,0,0|2,0,0]=3 581 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,0|0,0,2]=3 582 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,0|0,0,2]=3 583 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,1,0,0,0,0|2,0,0]=3 585 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,1,0,0,0,0|2,0,0]=3 586 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,1,0,0,0,0|2,0,0]=3 587 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,1,0,0,0,0|2,0,0]=3 588 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,1,0,0,0,0|2,0,0]=3 589 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,1,0,0,0,0|2,0,0]=3 590 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,1,0,0,0,0|2,0,0]=3 591 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,1,0,0,0,0|2,0,0]=3 592 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,1,0,0,0,0|2,0,0]=3 593 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,0|3,0,0]=4 595 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,0|2,0,0]=3 597 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,0|2,1,0]=4 598 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,0|1,0,0]=2 599 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,0|1,0,0]=2 600 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,0|1,0,0]=2 601 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|1,0,0]=2 602 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|1,0,0]=2 603 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,0|0,0,2]=3 605 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,0|0,0,2]=3 606 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,0|0,0,2]=3 607 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,0|0,0,2]=3 608 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,0|0,0,2]=3 609 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,0|0,0,2]=3 610 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|1,0,0]=2 611 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|1,0,0]=2 612 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,1,0,0,0,0|2,0,0]=3 613 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,1,0,0,0,0|1,0,1]=3 614 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,1,0,0,0,0|1,0,1]=3 615 B8R0.23 C[C@H](NC(=O)N)C(=O)O MCULE-7947685696 [0,1,0,0,0,0|2,0,0]=3 616 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,0|0,0,2]=3 617 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,0|1,0,0]=2 618 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|1,0,0]=2 619 B8R0.23 NC(=O)CC(Br)C(=O)O MCULE-2823539046 [0,1,0,0,0,0|1,0,0]=2 620 B8R0.23 NC(=O)CC(N)C(=O)O MCULE-1395307434 [0,1,0,0,0,0|1,0,0]=2 621 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,0|2,0,0]=3 622 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-5685974579 [0,1,0,0,0,0|1,0,0]=2 623 B8R0.23 NC(=O)C[C@@H](N)C(=O)O MCULE-6923060287 [0,1,0,0,0,0|1,0,0]=2 624 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,0|2,0,0]=3 625 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,0|2,0,0]=3 626 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,0|2,0,0]=3 627 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,0|2,0,0]=3 628 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-1868046141 [0,1,0,0,0,0|1,0,0]=2 629 B8R0.23 NC(=O)C[C@H](N)C(=O)O MCULE-8248953574 [0,1,0,0,0,0|1,0,0]=2 630 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|1,0,0]=2 632 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|1,0,0]=2 633 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|1,0,0]=2 634 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|1,0,0]=2 635 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|1,0,0]=2 636 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|1,0,0]=2 637 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|1,0,0]=2 638 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|1,0,0]=2 639 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|1,0,0]=2 640 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|1,0,0]=2 641 B8R0.23 NC(CC(=O)[O-])C(=O)O MCULE-9221777365 [0,1,0,0,0,0|1,0,0]=2 642 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5331717218 [0,1,0,0,0,0|1,0,1]=3 643 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MCULE-5921707862 [0,1,0,0,0,0|1,0,1]=3 644 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,1,0,0,0,0|2,0,1]=4 645 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|1,0,0]=2 647 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|1,0,0]=2 648 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|1,0,0]=2 649 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)O MCULE-5793000569 [0,1,0,0,0,0|1,0,0]=2 650 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-4019077430 [0,1,0,0,0,0|1,0,1]=3 651 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-5586538224 [0,1,0,0,0,0|1,0,1]=3 652 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-7845714288 [0,1,0,0,0,0|1,0,1]=3 653 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8320700728 [0,1,0,0,0,0|1,0,1]=3 654 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] MCULE-8905060145 [0,1,0,0,0,0|1,0,1]=3 655 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-6647925908 [0,1,0,0,0,0|2,0,0]=3 660 B8R0.23 N[C@@H](CS(=O)O)C(=O)O MCULE-7596867929 [0,1,0,0,0,0|2,0,0]=3 661 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|1,0,0]=2 662 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,0,0|1,0,2]=4 665 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,0,0|1,0,2]=4 666 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,0,0|1,0,2]=4 667 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,0|1,0,1]=3 669 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|1,0,0]=2 670 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|1,0,0]=2 671 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|1,0,0]=2 672 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|1,0,0]=2 673 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|1,0,0]=2 674 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|1,0,0]=2 675 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|1,0,0]=2 676 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|1,0,0]=2 677 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|1,0,0]=2 678 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|1,0,0]=2 679 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|1,0,0]=2 680 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|1,0,0]=2 681 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|1,0,0]=2 682 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|1,0,0]=2 683 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|1,0,0]=2 684 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|1,0,0]=2 685 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,0|1,0,0]=2 686 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|1,0,0]=2 687 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,0|2,0,0]=3 688 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|1,0,0]=2 689 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,0|1,0,0]=2 693 B8R0.23 [NH3+]C(CS(=O)[O-])C(=O)O MCULE-5293441756 [0,1,0,0,0,0|2,0,0]=3 694 B8R0.23 [NH3+][C@@H](CC(=O)[O-])C(=O)[O-] MCULE-1215535631 [0,1,0,0,0,0|1,0,1]=3 695 B8R0.29 CC(=O)CCC(C)(C)C MCULE-2192082949 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [0,1,0,0,0,0|1,0,1]=3 697 B8R0.29 CC(=O)CCC(F)(F)F MCULE-6225123181 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.29 CC(=O)CCS(=O)(=O)C MCULE-3749048069 [0,1,0,0,0,0|1,0,1]=3 699 B8R0.29 CC(=O)CNS(=O)(=O)C MCULE-3357245714 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.29 CC(=O)COS(=O)(=O)C MCULE-9016144725 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,1,0,0,0,0|2,0,0]=3 702 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [0,1,0,0,0,0|1,0,1]=3 703 B8R0.29 CC(C)(C)NCC(=O)O MCULE-1149308055 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.29 CC(C)(C)NCC(=O)O MCULE-9781967875 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.29 CC(C)(C)OCC(=O)O MCULE-9634856231 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.29 CC(C)(C)SCC(=O)O MCULE-3761706328 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,1,0,0,0,0|1,0,1]=3 708 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,1,0,0,0,0|1,0,1]=3 709 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-1599861039 [0,1,0,0,0,0|0,0,3]=4 710 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-4576125997 [0,1,0,0,0,0|0,0,3]=4 711 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-9770985354 [0,1,0,0,0,0|0,0,3]=4 712 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [0,1,0,0,0,0|0,1,1]=3 713 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [0,1,0,0,0,0|1,0,1]=3 714 B8R0.29 CC(O)CCS(=O)(=O)C MCULE-4963897023 [0,1,0,0,0,0|2,0,1]=4 715 B8R0.29 CN(C)CCS(=O)(=O)O MCULE-2605112532 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,0,0|1,0,0]=2 717 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,0|1,0,0]=2 718 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [0,1,0,0,0,0|1,1,0]=3 719 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,0|2,0,0]=3 720 B8R0.29 CS(=O)(=O)C=CC(=O)O MCULE-9110705817 [0,1,0,0,0,0|1,0,2]=4 721 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,0,0|1,0,0]=2 722 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,0,0|2,0,0]=3 723 B8R0.29 CS(=O)(=O)NCC(=O)[O-] MCULE-9448136066 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,1,0,0,0,0|2,0,0]=3 725 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [0,1,0,0,0,0|1,1,0]=3 726 B8R0.29 C[Si](C)(C)CCC(=O)[O-] MCULE-2888786921 [0,1,0,0,0,0|1,1,1]=4 727 B8R0.29 NS(=O)(=O)CCC(=O)O MCULE-7062523969 [0,1,0,0,0,0|2,0,0]=3 728 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl MCULE-2127623168 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.29 O=C(O)CCC(F)(F)F MCULE-9968667608 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,1,0,0,0,0|2,0,0]=3 731 B8R0.29 O=C(O)CCS(=O)(=O)O MCULE-8973025218 [0,1,0,0,0,0|2,0,0]=3 732 B8R0.29 O=C([O-])CCS(=O)(=O)[O-] MCULE-7929163880 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.29 O=C([O-])CC[Si](O)(O)O MCULE-2020093645 [0,1,0,0,0,0|1,1,1]=4 734 B8R0.29 O=C([O-])CC[Si](O)(O)O MCULE-4188223321 [0,1,0,0,0,0|1,1,1]=4 735 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,0,0,1,0,0|2,0,0]=3 736 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,1,0,0|2,0,0]=3 737 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,1,0,0|2,0,0]=3 738 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,0,0,1,0,0|2,0,1]=4 739 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,0,0,1,0,0|2,0,1]=4 740 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,0,0,1,0,0|2,0,1]=4 741 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,0,0,1,0,0|2,0,1]=4 742 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,0,0,1,0,0|2,0,1]=4 743 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,1,0,0|1,0,1]=3 744 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,0,0,1,0,0|1,1,1]=4 745 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,0,0,1,0,0|2,0,1]=4 746 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,1,0,0|2,0,1]=4 747 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,0,0,1,0,0|2,0,1]=4 748 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,0,0,1,0,0|3,0,0]=4 749 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,0,0,1,0,0|3,0,0]=4 750 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,0,0,1,0,0|2,0,1]=4 751 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,0,0,1,0,0|2,0,1]=4 752 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,0,0,1,0,0|2,0,1]=4 753 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,0,0,1,0,0|2,0,1]=4 754 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,1,0,0|2,0,1]=4 755 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,1,0,0|2,0,1]=4 756 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,0,0,1,0,0|2,0,1]=4 757 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,0,0,1,0,0|2,0,1]=4 758 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,0,0,1,0,0|2,0,1]=4 759 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,1,0,0|2,0,1]=4 760 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,1,0,0|2,0,1]=4 761 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,0,0,1,0,0|2,0,1]=4 762 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,0,0,1,0,0|2,0,1]=4 763 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,0,0,1,0,0|2,0,1]=4 764 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,0,0,1,0,0|2,0,1]=4 765 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,0,0,1,0,0|2,0,1]=4 766 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,0,0,1,0,0|2,0,1]=4 767 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,0,0,1,0,0|2,0,1]=4 768 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,0,0,1,0,0|2,0,1]=4 769 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,0,0,1,0,0|2,0,1]=4 770 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,0,0,1,0,0|2,0,1]=4 771 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,0,0,1,0,0|2,0,1]=4 772 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,0,0,1,0,0|2,0,1]=4 773 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,0,0,1,0,0|2,0,1]=4 774 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,0,0,1,0,0|2,0,1]=4 775 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,0,0,1,0,0|2,0,1]=4 776 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,0,0,1,0,0|1,0,0]=2 777 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,0,0,1,0,0|1,0,0]=2 778 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,0,0,1,0,0|2,0,0]=3 779 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,0|0,0,0]=1 780 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,0,0,1,0,0|2,0,1]=4 781 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,0,0,1,0,0|2,0,1]=4 782 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,0,0,1,0,0|2,0,1]=4 783 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,1,0,0|1,0,1]=3 784 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,0,0,1,0,0|2,0,1]=4 785 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,1,0,0|1,0,2]=4 786 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,0,0|0,0,2]=3 787 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,0,0,1,0,0|2,0,0]=3 788 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,1,0,0|1,0,2]=4 789 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,1,0,0|1,0,2]=4 790 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,1,0,0|1,0,2]=4 791 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,1,0,0|1,0,2]=4 792 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,0,0,1,0,0|2,0,0]=3 793 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,0|1,0,0]=2 794 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,0|1,0,0]=2 795 B8R1.3 O=S1CCC(CC1)O MCULE-7693506009 [0,0,0,1,0,0|2,0,1]=4 796 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,0|1,0,1]=3 797 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,0|1,0,0]=2 798 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [0,0,0,1,0,0|2,0,0]=3 799 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [0,0,0,1,0,0|2,0,0]=3 800 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,0,0,1,0,0|2,0,0]=3 801 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,0|1,0,0]=2 802 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,0,0,1,0,0|1,0,1]=3 803 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,1,0,0|2,0,0]=3 804 B8R1.23 CC(=O)N1CC(C1)O MCULE-5379013327 [0,0,0,1,0,0|2,0,1]=4 805 B8R1.23 CC(C)C1CC(=O)C1 MCULE-1288547159 [0,0,0,1,0,0|2,0,1]=4 806 B8R1.23 CC(C)C1CC(=O)N1 MCULE-9034089552 [0,0,0,1,0,0|2,0,1]=4 807 B8R1.23 CC(C)[C@@H]1CC(=O)N1 MCULE-4005923993 [0,0,0,1,0,0|2,0,1]=4 808 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,1,0,0|1,0,1]=3 809 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,0|1,0,1]=3 810 B8R1.23 CN(C)C1CC(=O)C1 MCULE-6018790008 [0,0,0,1,0,0|3,0,0]=4 811 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-4240668885 [0,0,0,1,0,0|3,0,0]=4 812 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-8969093472 [0,0,0,1,0,0|3,0,0]=4 813 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,1,0,0|2,0,0]=3 814 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,0|1,0,1]=3 815 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,1,0,0|1,0,1]=3 816 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,1,0,0|1,0,1]=3 817 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,0|1,0,1]=3 818 B8R1.23 NC(=O)C1CC(C1)N MCULE-5148844906 [0,0,0,1,0,0|2,0,1]=4 819 B8R1.23 NC(=O)C1CC(C1)N MCULE-6769121107 [0,0,0,1,0,0|2,0,1]=4 820 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,0,0,1,0,0|1,0,2]=4 821 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,0|1,0,1]=3 822 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,0|1,0,1]=3 823 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,0|1,0,1]=3 824 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,0|1,0,1]=3 825 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,0|1,0,1]=3 826 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,0|1,0,1]=3 827 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,1,0,0|1,0,1]=3 828 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,1,0,0|1,0,1]=3 829 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,1,0,0|1,0,1]=3 830 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,0|0,0,2]=3 831 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,1,0,0|1,0,1]=3 832 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,1,0,0|1,0,1]=3 833 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,0|0,0,2]=3 834 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,1,0,0|1,0,1]=3 835 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,1,0,0|1,0,1]=3 836 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,0|0,0,2]=3 837 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,1,0,0|1,0,0]=2 838 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,0|0,0,0]=1 839 B8R1.23 O=C1CC(C1)C(F)F MCULE-9534663831 [0,0,0,1,0,0|2,0,1]=4 840 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,0|1,0,0]=2 841 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,0|1,0,0]=2 842 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,0|1,0,0]=2 843 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,0|1,0,0]=2 844 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,0|1,0,0]=2 845 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,0|1,0,0]=2 846 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,1,0,0|1,0,1]=3 847 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [0,0,0,1,0,0|2,0,1]=4 848 B8R1.35 CC(=O)NCC1CO1 MCULE-8864606081 [0,0,0,1,0,0|2,0,1]=4 849 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,0|1,0,1]=3 850 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,0|0,0,2]=3 851 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [0,0,0,1,0,0|2,0,1]=4 852 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,0,1,0,0|2,0,1]=4 853 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,0,1,0,0|2,0,1]=4 854 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,0,1,0,0|2,0,1]=4 855 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,0,1,0,0|2,0,1]=4 856 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,0,0,1,0,0|2,0,1]=4 857 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,0,0,1,0,0|2,0,1]=4 858 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,0,0,1,0,0|1,0,1]=3 859 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [0,0,0,1,0,0|2,0,1]=4 860 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,0,0,1,0,0|2,0,1]=4 861 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,0,0,1,0,0|2,0,1]=4 862 B8R1.51 CC1=CS(=O)(=O)CC1 MCULE-6179781717 [0,0,0,1,0,0|2,0,1]=4 863 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,0|1,0,0]=2 864 B8R1.51 O=C1CCS(=O)(=O)C1 MCULE-8153139552 [0,0,0,1,0,0|1,0,1]=3 865 B8R1.51 O=C1CCS(=O)(=O)N1 MCULE-4505524753 [0,0,0,1,0,0|2,0,1]=4 866 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,0,0,1,0,0|2,0,0]=3 867 B8R1.77 C1(CC1(C)C)C(=O)N MCULE-5718477060 [0,0,0,1,0,0|2,0,1]=4 868 B8R1.77 CC(=O)C1CC1(C)C MCULE-5036637605 [0,0,0,1,0,0|2,0,1]=4 869 B8R1.77 CC(=O)C1CC1(F)F MCULE-1936405426 [0,0,0,1,0,0|2,0,1]=4 870 B8R1.77 CC1(CC1C(=O)Cl)C MCULE-4090499692 [0,0,0,1,0,0|2,0,1]=4 871 B8R1.77 CC1(CC1C(=O)N)C MCULE-5357702152 [0,0,0,1,0,0|2,0,1]=4 872 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,0,0,1,0,0|1,0,1]=3 873 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,0,0,1,0,0|1,0,1]=3 874 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-5378835991 [0,0,0,1,0,0|2,0,1]=4 875 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-9161411761 [0,0,0,1,0,0|2,0,1]=4 876 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,0,0,1,0,0|1,0,1]=3 877 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,0,0,1,0,0|1,0,1]=3 878 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,0,0,1,0,0|1,0,1]=3 879 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,0,0,1,0,0|2,0,1]=4 880 B8R1.77 O=C(O)C1CC1(Br)Br MCULE-7358606014 [0,0,0,1,0,0|2,0,1]=4 881 B8R1.77 O=C(O)C1CC1(Cl)Cl MCULE-6063199100 [0,0,0,1,0,0|2,0,1]=4 882 B8R1.77 O=C(O)C1CC1(F)Cl MCULE-3259140974 [0,0,0,1,0,0|2,0,1]=4 883 B8R1.77 O=C(O)C1CC1(F)F MCULE-2294378507 [0,0,0,1,0,0|2,0,1]=4 884 B8R1.77 O=C(O)C1CC1(F)F MCULE-7749595525 [0,0,0,1,0,0|2,0,1]=4 885 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-1169025364 [0,0,0,1,0,0|2,0,1]=4 886 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-8477839387 [0,0,0,1,0,0|2,0,1]=4 887 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-4058307455 [0,0,0,1,0,0|2,0,1]=4 888 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-5570539448 [0,0,0,1,0,0|2,0,1]=4 889 B8R1.77 [C@H]1(CC1(C)C)C(=O)N MCULE-6467459637 [0,0,0,1,0,0|2,0,1]=4 890 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,1,0|2,0,0]=3 891 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,1,0|1,0,0]=2 892 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,1,0|2,0,1]=4 893 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,1,0|2,0,1]=4 894 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,1,0|3,0,0]=4 895 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,1,0|1,0,1]=3 896 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,1,0|2,0,1]=4 897 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,1,0|2,0,1]=4 898 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,1,0|1,0,1]=3 899 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,1,0|1,0,1]=3 900 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,1,0|1,0,1]=3 901 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,1,0|1,0,1]=3 902 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,1,0|2,0,0]=3 903 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,1,0|2,0,1]=4 904 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,1,0|1,0,2]=4 905 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,1,0|1,0,2]=4 906 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,1,0|2,0,1]=4 907 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,1,0|2,0,1]=4 908 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,1,0|2,0,1]=4 909 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,1,0|1,0,1]=3 910 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,1,0|1,0,2]=4 911 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,1,0|1,0,0]=2 912 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,1,0|1,0,0]=2 913 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,1,0|0,0,0]=1 914 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,1,0|0,0,1]=2 915 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,1,0|0,0,1]=2 916 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,1,0|2,0,1]=4 917 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,1,0|2,0,1]=4 918 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,1,0|2,0,1]=4 919 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,1,0|1,0,1]=3 920 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,1,0|1,0,1]=3 921 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,1,0|3,0,0]=4 922 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,1,0|2,0,1]=4 923 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,1,0|2,0,1]=4 924 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,0,0,0,1,0|3,0,0]=4 925 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,1,0|2,0,0]=3 926 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,1,0|2,0,0]=3 927 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,0,0,0,1,0|2,1,0]=4 928 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,1,0|2,0,0]=3 929 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,1,0|2,0,0]=3 930 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,1,0|1,0,1]=3 931 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,1,0|1,0,1]=3 932 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,1,0|1,0,1]=3 933 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,0,0,1,0|2,0,1]=4 934 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,1,0|2,0,1]=4 935 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,1,0|1,0,1]=3 936 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,0,0,1,0|2,0,1]=4 937 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,1,0|1,0,1]=3 938 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,1,0|1,0,1]=3 939 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,1,0|2,0,1]=4 940 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,1,0|2,0,1]=4 941 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,1,0|1,0,1]=3 942 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,1,0|1,0,1]=3 943 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,1,0|1,0,1]=3 944 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,1,0|1,0,1]=3 945 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,1,0|1,0,2]=4 946 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,1,0|0,0,2]=3 947 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,1,0|0,0,2]=3 948 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,1,0|0,0,3]=4 949 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,1,0|0,0,3]=4 950 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,0,0,1,0|2,0,1]=4 951 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,0,0,1,0|3,0,0]=4 952 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,0,0,1,0|3,0,0]=4 953 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,1,0|3,0,0]=4 954 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,1,0|2,0,0]=3 955 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,1,0|2,0,0]=3 956 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,0,0,1,0|2,0,1]=4 957 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,1,0|1,0,1]=3 958 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,1,0|1,0,1]=3 959 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,1,0|1,0,1]=3 960 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,1,0|1,0,1]=3 961 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,1,0|0,0,2]=3 962 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,1,0|0,0,2]=3 963 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,1,0|0,0,3]=4 964 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,1,0|0,0,3]=4 965 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,1,0|1,0,1]=3 966 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,1,0|1,0,1]=3 967 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,1,0|1,0,1]=3 968 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,1,0|1,0,1]=3 969 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,1,0|1,0,1]=3 970 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,1,0|1,0,1]=3 971 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,1,0|0,0,2]=3 972 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,1,0|0,0,2]=3 973 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,1,0|0,0,3]=4 974 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,1,0|0,0,3]=4 975 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,0,0,1,0|2,0,1]=4 976 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,0,0,1,0|2,0,1]=4 977 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,1,0|3,0,0]=4 978 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,1,0|3,0,0]=4 979 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,1,0|2,0,0]=3 980 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,1,0|1,0,0]=2 981 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,1,0|2,1,0]=4 982 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,1,0|2,0,1]=4 983 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,1,0|2,0,1]=4 984 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,0,0,0,1,0|3,0,0]=4 985 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,1,0|2,0,1]=4 986 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,1,0|2,0,1]=4 987 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,1,0|2,0,0]=3 988 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,1,0|2,0,1]=4 989 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,1,0|2,0,1]=4 990 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,1,0|2,0,1]=4 991 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,1,0|1,0,0]=2 992 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,1,0|2,0,1]=4 993 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,1,0|2,0,0]=3 994 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,1,0|1,0,1]=3 995 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,1,0|1,0,1]=3 996 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,0,0,0,1,0|2,0,1]=4 997 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [0,0,0,0,0,1|1,0,1]=3 998 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,1|1,0,0]=2 999 B8R0.28 C=C(C)CNCC(=C)C MCULE-9045522543 [0,0,0,0,0,1|3,0,0]=4 1000 B8R0.28 C=C(C)C[Ru]CC(=C)C MCULE-2245531753 [0,0,0,0,0,1|3,0,0]=4 1001 B8R0.28 C=C(C)C[Ru]CC(=C)C MCULE-6961220664 [0,0,0,0,0,1|3,0,0]=4 1002 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [0,0,0,0,0,1|1,0,1]=3 1003 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,1|1,0,0]=2 1004 B8R0.28 CC(=CCCC(C)O)C MCULE-6046871097 [0,0,0,0,0,1|2,0,1]=4 1005 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-5913564496 [0,0,0,0,0,1|2,0,1]=4 1006 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-8239445037 [0,0,0,0,0,1|2,0,1]=4 1007 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-3685132186 [0,0,0,0,0,1|2,0,1]=4 1008 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-7339160655 [0,0,0,0,0,1|2,0,1]=4 1009 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,1|0,0,1]=2 1010 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,0,0,0,0,1|2,0,0]=3 1011 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,0,0,0,0,1|1,0,0]=2 1012 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,0,0,0,0,1|1,0,0]=2 1013 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,1|0,0,0]=1 1014 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,0,0,0,0,1|2,0,1]=4 1015 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,0,0,0,0,1|3,0,0]=4 1016 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,0,0,0,0,1|1,0,0]=2 1017 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [0,0,0,0,0,1|2,0,1]=4 1018 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,0,0,0,0,1|2,0,1]=4 1019 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,0,0,0,0,1|2,0,1]=4 1020 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [0,0,0,0,0,1|1,0,0]=2 1021 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,0,0,0,0,1|2,0,1]=4 1022 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,0,0,0,0,1|1,0,0]=2 1023 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,1|0,0,0]=1 1024 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,0,0,0,0,1|2,0,1]=4 1025 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,0,0,0,0,1|2,0,0]=3 1026 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,0,0,0,0,1|2,0,0]=3 1027 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [0,0,0,0,0,1|2,0,1]=4 1028 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,1|0,0,0]=1 1029 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [0,0,0,0,0,1|2,0,1]=4 1030 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [0,0,0,0,0,1|3,0,0]=4 1031 B8R0.28 CC(=O)OCOC(=O)C MCULE-9458993444 [0,0,0,0,0,1|2,0,0]=3 1032 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,0,0,0,0,1|1,0,0]=2 1033 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,1|0,0,0]=1 1034 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,0,0,0,0,1|1,0,2]=4 1035 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,0,0,0,0,1|1,0,2]=4 1036 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,0,0,0,0,1|1,0,2]=4 1037 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,0,1|1,0,1]=3 1038 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,0,0,0,0,1|2,0,1]=4 1039 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [0,0,0,0,0,1|2,0,1]=4 1040 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,0,0,0,0,1|2,0,1]=4 1041 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,0,0,0,0,1|2,0,1]=4 1042 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,0,0,0,0,1|1,0,1]=3 1043 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,0,0,0,0,1|1,0,1]=3 1044 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,0,0,0,0,1|2,0,1]=4 1045 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,0,0,0,0,1|1,0,1]=3 1046 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,0,0,0,0,1|1,0,1]=3 1047 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,0,0,0,0,1|2,0,1]=4 1048 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,0,0,0,0,1|1,0,1]=3 1049 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,0,0,0,0,1|1,0,1]=3 1050 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,0,0,0,0,1|1,0,1]=3 1051 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,0,0,0,0,1|1,0,1]=3 1052 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,0,0,0,0,1|2,0,1]=4 1053 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,1|0,0,2]=3 1054 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,0,0,0,0,1|0,0,3]=4 1055 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,0,0,0,0,1|2,0,1]=4 1056 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,0,0,0,0,1|2,0,1]=4 1057 B8R0.28 CN(C)CC#CC(=O)O MCULE-3155038032 [0,0,0,0,0,1|2,0,1]=4 1058 B8R0.28 CN(C)CC#CC(=O)O MCULE-3234500613 [0,0,0,0,0,1|2,0,1]=4 1059 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,0,0,0,0,1|2,0,1]=4 1060 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,0,0,0,0,1|2,0,1]=4 1061 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,0,0,0,0,1|3,0,0]=4 1062 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,0,0,0,0,1|3,0,0]=4 1063 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,0,1|2,0,0]=3 1064 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,0,1|2,0,0]=3 1065 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [0,0,0,0,0,1|3,0,0]=4 1066 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [0,0,0,0,0,1|3,0,0]=4 1067 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,0,0,0,0,1|2,0,0]=3 1068 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,0,0,0,0,1|2,0,0]=3 1069 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,0,0,0,0,1|2,0,0]=3 1070 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,0,0,0,0,1|1,1,0]=3 1071 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,0,0,0,0,1|2,0,0]=3 1072 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,0,0,0,0,1|1,0,0]=2 1073 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,0,0,0,0,1|2,0,1]=4 1074 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,0,0,0,0,1|2,0,0]=3 1075 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,0,0,0,0,1|1,0,0]=2 1076 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,0,0,0,0,1|1,0,0]=2 1077 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,0,0,0,0,1|2,0,0]=3 1078 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,0,0,0,0,1|1,0,0]=2 1079 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,0,0,0,0,1|1,0,2]=4 1080 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,0,0,0,0,1|1,0,0]=2 1081 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,0,0,0,0,1|3,0,0]=4 1082 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,0,0,0,0,1|2,0,1]=4 1083 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,0,0,0,0,1|1,1,0]=3 1084 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,0,0,0,0,1|2,0,0]=3 1085 B8R0.28 O=C(Cl)COCC(=O)Cl MCULE-4828514058 [0,0,0,0,0,1|2,0,0]=3 1086 B8R0.28 O=C(O)/C=C/CC(=O)O MCULE-3754065542 [0,0,0,0,0,1|1,0,1]=3 1087 B8R0.28 O=C(O)C=CCC(=O)O MCULE-2034660220 [0,0,0,0,0,1|1,0,1]=3 1088 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,0,0,0,0,1|1,0,0]=2 1089 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,0,0,0,0,1|2,0,1]=4 1090 B8R0.28 O=C(O)CCCN(=O)=O MCULE-2601801792 [0,0,0,0,0,1|2,0,0]=3 1091 B8R0.28 O=C(O)CNCC(=O)O MCULE-4131542591 [0,0,0,0,0,1|1,0,0]=2 1092 B8R0.28 O=C(O)COCC(=O)O MCULE-5687758679 [0,0,0,0,0,1|1,0,0]=2 1093 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,0,0,0,0,1|2,0,1]=4 1094 B8R0.28 O=C(O)CSCC(=O)O MCULE-8112166808 [0,0,0,0,0,1|1,0,0]=2 1095 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,0,0,0,0,1|1,0,1]=3 1096 B8R0.28 O=C([O-])CNCC(=O)[O-] MCULE-1067264838 [0,0,0,0,0,1|1,0,1]=3 1097 B8R0.28 O=C([O-])COCC(=O)O MCULE-3773620396 [0,0,0,0,0,1|1,0,0]=2 1098 B8R0.28 O=C([O-])COCC(=O)O MCULE-5768077440 [0,0,0,0,0,1|1,0,0]=2 1099 B8R0.28 OC(=S)COCC(=S)O MCULE-1054878793 [0,0,0,0,0,1|1,1,1]=4 1100 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,0,0,0,0,1|2,0,0]=3 1101 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 1102 B5R0.1 C(C)(N)CCO MCULE-5545469271 [2,0,0,0,0,0|1,0,1]=4 1103 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [2,0,0,0,0,0|1,0,1]=4 1104 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [2,0,0,0,0,0|1,0,1]=4 1105 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [2,0,0,0,0,0|1,0,1]=4 1106 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,1]=3 1107 B5R0.1 C=C(Br)CCO MCULE-3743908958 [2,0,0,0,0,0|1,0,1]=4 1108 B5R0.1 C=C(C)CCBr MCULE-3439794005 [2,0,0,0,0,0|2,0,0]=4 1109 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|1,0,1]=4 1110 B5R0.1 C=C(C)CCCl MCULE-2816016781 [2,0,0,0,0,0|2,0,0]=4 1111 B5R0.1 C=C(C)CCI MCULE-6317205481 [2,0,0,0,0,0|2,0,0]=4 1112 B5R0.1 C=C(C)CCN MCULE-4037025602 [2,0,0,0,0,0|2,0,0]=4 1113 B5R0.1 C=C(C)CCN MCULE-5001503744 [2,0,0,0,0,0|2,0,0]=4 1114 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|1,0,0]=3 1115 B5R0.1 C=CCC(=C)C MCULE-6294070836 [2,0,0,0,0,0|1,0,1]=4 1116 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [2,0,0,0,0,0|1,0,1]=4 1117 B5R0.1 C=CCC(=O)N MCULE-1205335257 [2,0,0,0,0,0|1,0,1]=4 1118 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,1]=3 1119 B5R0.1 C=CNC(=O)C MCULE-1260296806 [2,0,0,0,0,0|1,0,1]=4 1120 B5R0.1 C=COC(=O)C MCULE-7626795765 [2,0,0,0,0,0|1,0,1]=4 1121 B5R0.1 C=NCC(=O)N MCULE-7609497329 [2,0,0,0,0,0|2,0,0]=4 1122 B5R0.1 CC#CC(=O)O MCULE-9994142213 [2,0,0,0,0,0|0,0,2]=4 1123 B5R0.1 CC(=CC=O)C MCULE-7002222435 [2,0,0,0,0,0|1,0,1]=4 1124 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [2,0,0,0,0,0|1,0,1]=4 1125 B5R0.1 CC(=CC=O)N MCULE-2659507627 [2,0,0,0,0,0|1,0,1]=4 1126 B5R0.1 CC(=CCO)C MCULE-3984123588 [2,0,0,0,0,0|1,0,1]=4 1127 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [2,0,0,0,0,0|1,0,1]=4 1128 B5R0.1 CC(=CCO)I MCULE-4600854759 [2,0,0,0,0,0|1,0,1]=4 1129 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [2,0,0,0,0,0|1,0,1]=4 1130 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [2,0,0,0,0,0|1,0,1]=4 1131 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [2,0,0,0,0,0|0,0,2]=4 1132 B5R0.1 CC(=O)C=NO MCULE-5513006918 [2,0,0,0,0,0|1,0,1]=4 1133 B5R0.1 CC(=O)CC#N MCULE-7203242552 [2,0,0,0,0,0|1,0,1]=4 1134 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|1,0,0]=3 1135 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|1,0,0]=3 1136 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|1,0,0]=3 1137 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|1,0,0]=3 1138 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|0,0,0]=2 1139 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [2,0,0,0,0,0|2,0,0]=4 1140 B5R0.1 CC(=O)NCO MCULE-4563335540 [2,0,0,0,0,0|1,0,0]=3 1141 B5R0.1 CC(=O)OCBr MCULE-9842804945 [2,0,0,0,0,0|2,0,0]=4 1142 B5R0.1 CC(=O)OCCl MCULE-6822222026 [2,0,0,0,0,0|2,0,0]=4 1143 B5R0.1 CC(=O)SCBr MCULE-9794607323 [2,0,0,0,0,0|2,0,0]=4 1144 B5R0.1 CC(C)CC=O MCULE-2939497534 [2,0,0,0,0,0|1,0,1]=4 1145 B5R0.1 CC(C)CCO MCULE-7411270401 [2,0,0,0,0,0|1,0,1]=4 1146 B5R0.1 CC(Cl)CCO MCULE-1955496242 [2,0,0,0,0,0|1,0,1]=4 1147 B5R0.1 CC(N)CCO MCULE-1771399942 [2,0,0,0,0,0|1,0,1]=4 1148 B5R0.1 CC(N)CCO MCULE-7239872808 [2,0,0,0,0,0|1,0,1]=4 1149 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|0,0,2]=4 1150 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|0,0,2]=4 1151 B5R0.1 CC(S)CCO MCULE-5702212503 [2,0,0,0,0,0|0,1,1]=4 1152 B5R0.1 CC=CC(=O)C MCULE-4826977340 [2,0,0,0,0,0|1,0,1]=4 1153 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [2,0,0,0,0,0|1,0,1]=4 1154 B5R0.1 CC=CC(=O)N MCULE-9693879476 [2,0,0,0,0,0|1,0,1]=4 1155 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,1]=3 1156 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|1,0,1]=4 1157 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|2,0,0]=4 1158 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|2,0,0]=4 1159 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|0,0,1]=3 1160 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,0]=3 1161 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,0]=3 1162 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,0]=2 1163 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,1]=3 1164 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,1]=3 1165 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|1,1,0]=4 1166 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,0]=3 1167 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,1]=4 1168 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|1,0,1]=4 1169 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|1,0,1]=4 1170 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|1,0,1]=4 1171 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|1,0,1]=4 1172 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,1]=4 1173 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,1]=4 1174 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|1,0,1]=4 1175 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 1176 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|2,0,0]=4 1177 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|1,0,1]=4 1178 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|2,0,0]=4 1179 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|2,0,0]=4 1180 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|1,0,1]=4 1181 B5R0.1 CN(C)CC=O MCULE-1229218563 [2,0,0,0,0,0|2,0,0]=4 1182 B5R0.1 CN(C)CC=O MCULE-3577561950 [2,0,0,0,0,0|2,0,0]=4 1183 B5R0.1 CN(C)CC=O MCULE-4493766862 [2,0,0,0,0,0|2,0,0]=4 1184 B5R0.1 CN(C)CC=O MCULE-8123455398 [2,0,0,0,0,0|2,0,0]=4 1185 B5R0.1 CN(C)CCO MCULE-5715813465 [2,0,0,0,0,0|2,0,0]=4 1186 B5R0.1 CN(C)CCO MCULE-7567469160 [2,0,0,0,0,0|2,0,0]=4 1187 B5R0.1 CN(C)CCO MCULE-9024108074 [2,0,0,0,0,0|2,0,0]=4 1188 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|1,0,1]=4 1189 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|1,0,1]=4 1190 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|2,0,0]=4 1191 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|2,0,0]=4 1192 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|2,0,0]=4 1193 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|1,0,0]=3 1194 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|1,0,0]=3 1195 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|1,0,1]=4 1196 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|1,0,1]=4 1197 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|2,0,0]=4 1198 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|2,0,0]=4 1199 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,0]=3 1200 B5R0.1 CS(=O)CCBr MCULE-7846126230 [2,0,0,0,0,0|2,0,0]=4 1201 B5R0.1 CS(=O)CCCl MCULE-7012781505 [2,0,0,0,0,0|2,0,0]=4 1202 B5R0.1 CS(=O)CCN MCULE-6497874560 [2,0,0,0,0,0|2,0,0]=4 1203 B5R0.1 CS(=O)CCN MCULE-8275663766 [2,0,0,0,0,0|2,0,0]=4 1204 B5R0.1 CS(=O)CCN MCULE-8330490290 [2,0,0,0,0,0|2,0,0]=4 1205 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|1,0,0]=3 1206 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|1,0,1]=4 1207 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|2,0,0]=4 1208 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|2,0,0]=4 1209 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,0]=3 1210 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [2,0,0,0,0,0|1,0,1]=4 1211 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [2,0,0,0,0,0|1,0,1]=4 1212 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|0,0,2]=4 1213 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|0,0,2]=4 1214 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [2,0,0,0,0,0|1,0,1]=4 1215 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [2,0,0,0,0,0|1,0,1]=4 1216 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [2,0,0,0,0,0|1,0,1]=4 1217 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [2,0,0,0,0,0|1,0,1]=4 1218 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|0,0,2]=4 1219 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|0,0,2]=4 1220 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|1,0,0]=3 1221 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 1222 B5R0.1 N=C(N)CCO MCULE-4567824707 [2,0,0,0,0,0|2,0,0]=4 1223 B5R0.1 N=C(N)CCO MCULE-7139693715 [2,0,0,0,0,0|2,0,0]=4 1224 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|2,0,0]=4 1225 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|2,0,0]=4 1226 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|1,0,0]=3 1227 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|1,1,0]=4 1228 B5R0.1 NC(=O)NCO MCULE-7403641101 [2,0,0,0,0,0|2,0,0]=4 1229 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|2,0,0]=4 1230 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|2,0,0]=4 1231 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|2,0,0]=4 1232 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,0]=3 1233 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,0]=3 1234 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,0]=3 1235 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|1,0,1]=4 1236 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|2,0,0]=4 1237 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|2,0,0]=4 1238 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|2,0,0]=4 1239 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|2,0,0]=4 1240 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 1241 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 1242 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 1243 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 1244 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 1245 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 1246 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [2,0,0,0,0,0|1,0,1]=4 1247 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [2,0,0,0,0,0|1,0,1]=4 1248 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [2,0,0,0,0,0|1,0,1]=4 1249 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [2,0,0,0,0,0|1,0,1]=4 1250 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [2,0,0,0,0,0|1,0,1]=4 1251 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [2,0,0,0,0,0|1,0,1]=4 1252 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [2,0,0,0,0,0|1,0,1]=4 1253 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [2,0,0,0,0,0|1,0,1]=4 1254 B5R0.1 O=C(O)C=CI MCULE-7162332129 [2,0,0,0,0,0|1,0,1]=4 1255 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,0]=3 1256 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,0]=3 1257 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,0]=3 1258 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,0]=3 1259 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,0,1]=3 1260 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|0,1,0]=3 1261 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|1,0,1]=4 1262 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|1,0,0]=3 1263 B5R0.1 O=N(=O)CCO MCULE-2060841405 [2,0,0,0,0,0|2,0,0]=4 1264 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,1]=4 1265 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,1]=4 1266 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|0,0,2]=4 1267 B5R0.2 C/C=C/CCO MCULE-3952855392 [2,0,0,0,0,0|0,0,2]=4 1268 B5R0.2 C=CC/C=C/C MCULE-8732875285 [2,0,0,0,0,0|1,0,1]=4 1269 B5R0.2 C=CCC=CC MCULE-8643449832 [2,0,0,0,0,0|1,0,1]=4 1270 B5R0.2 C=CCCC=C MCULE-2599309974 [2,0,0,0,0,0|1,0,1]=4 1271 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|0,0,1]=3 1272 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|1,0,1]=4 1273 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|0,0,2]=4 1274 B5R0.2 C=CCCNC MCULE-2124263362 [2,0,0,0,0,0|2,0,0]=4 1275 B5R0.2 C=CCCNC MCULE-5024925990 [2,0,0,0,0,0|2,0,0]=4 1276 B5R0.2 C=CCCOC MCULE-4681354270 [2,0,0,0,0,0|2,0,0]=4 1277 B5R0.2 C=CCNC=O MCULE-1911798514 [2,0,0,0,0,0|1,0,1]=4 1278 B5R0.2 C=CCOC=O MCULE-4161785970 [2,0,0,0,0,0|1,0,1]=4 1279 B5R0.2 CC#CCC=O MCULE-6071390808 [2,0,0,0,0,0|0,0,2]=4 1280 B5R0.2 CC=CCCO MCULE-4302367089 [2,0,0,0,0,0|0,0,2]=4 1281 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|0,0,1]=3 1282 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|0,0,2]=4 1283 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|1,0,1]=4 1284 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|1,0,1]=4 1285 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|1,0,1]=4 1286 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|1,0,1]=4 1287 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|1,0,1]=4 1288 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|1,0,1]=4 1289 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|1,0,0]=3 1290 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|1,0,1]=4 1291 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|1,0,0]=3 1292 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|1,0,1]=4 1293 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|1,0,1]=4 1294 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|0,0,0]=2 1295 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|0,0,0]=2 1296 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,1]=4 1297 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,1]=4 1298 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,1]=4 1299 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|0,0,1]=3 1300 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|1,0,1]=4 1301 B5R0.2 O=CNNC=O MCULE-7634212643 [2,0,0,0,0,0|2,0,0]=4 1302 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|1,0,1]=4 1303 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [1,1,0,0,0,0|0,0,2]=4 1304 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [1,1,0,0,0,0|1,0,1]=4 1305 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [1,1,0,0,0,0|1,0,1]=4 1306 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [1,1,0,0,0,0|0,0,1]=3 1307 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [1,1,0,0,0,0|2,0,0]=4 1308 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [1,1,0,0,0,0|0,0,1]=3 1309 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [1,1,0,0,0,0|0,0,1]=3 1310 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [1,1,0,0,0,0|0,0,1]=3 1311 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [1,1,0,0,0,0|0,0,2]=4 1312 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [1,1,0,0,0,0|1,0,1]=4 1313 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [1,1,0,0,0,0|1,0,1]=4 1314 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [1,1,0,0,0,0|1,0,1]=4 1315 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [1,1,0,0,0,0|1,0,1]=4 1316 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [1,1,0,0,0,0|1,0,1]=4 1317 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [1,1,0,0,0,0|2,0,0]=4 1319 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [1,1,0,0,0,0|1,0,1]=4 1320 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [1,1,0,0,0,0|1,0,1]=4 1321 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [1,1,0,0,0,0|0,0,2]=4 1322 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [1,1,0,0,0,0|1,0,1]=4 1323 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [1,1,0,0,0,0|1,0,1]=4 1324 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [1,1,0,0,0,0|0,0,1]=3 1325 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [1,1,0,0,0,0|0,0,1]=3 1326 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [1,1,0,0,0,0|0,0,1]=3 1327 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [1,1,0,0,0,0|0,0,1]=3 1328 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [1,1,0,0,0,0|1,0,1]=4 1329 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [1,1,0,0,0,0|0,0,1]=3 1330 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [1,1,0,0,0,0|1,0,1]=4 1332 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [1,1,0,0,0,0|0,0,1]=3 1333 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [1,1,0,0,0,0|0,0,1]=3 1334 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [1,1,0,0,0,0|0,0,1]=3 1335 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [1,1,0,0,0,0|0,0,1]=3 1336 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [1,1,0,0,0,0|0,0,1]=3 1337 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [1,1,0,0,0,0|0,0,1]=3 1338 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [1,1,0,0,0,0|0,0,1]=3 1339 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [1,1,0,0,0,0|0,0,1]=3 1340 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [1,1,0,0,0,0|0,0,1]=3 1341 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [1,1,0,0,0,0|0,0,1]=3 1342 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [1,1,0,0,0,0|0,0,1]=3 1343 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [1,1,0,0,0,0|0,0,1]=3 1344 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [1,1,0,0,0,0|1,0,0]=3 1345 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [1,1,0,0,0,0|2,0,0]=4 1346 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [1,1,0,0,0,0|1,0,1]=4 1347 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [1,1,0,0,0,0|2,0,0]=4 1348 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [1,1,0,0,0,0|2,0,0]=4 1349 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [1,1,0,0,0,0|1,0,0]=3 1350 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [1,1,0,0,0,0|1,0,0]=3 1351 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [1,1,0,0,0,0|1,0,1]=4 1352 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [1,1,0,0,0,0|1,0,0]=3 1353 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [1,1,0,0,0,0|1,0,0]=3 1354 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [1,1,0,0,0,0|1,0,1]=4 1355 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [1,1,0,0,0,0|1,0,1]=4 1356 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [1,1,0,0,0,0|0,0,2]=4 1357 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [1,1,0,0,0,0|0,0,2]=4 1358 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [1,1,0,0,0,0|0,0,2]=4 1359 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [1,1,0,0,0,0|1,0,1]=4 1360 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [1,1,0,0,0,0|1,0,1]=4 1361 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [1,1,0,0,0,0|1,0,1]=4 1362 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [1,1,0,0,0,0|1,0,1]=4 1363 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [1,1,0,0,0,0|1,0,1]=4 1364 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [1,1,0,0,0,0|1,0,1]=4 1365 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [1,1,0,0,0,0|1,0,1]=4 1366 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [1,1,0,0,0,0|1,0,1]=4 1367 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [1,1,0,0,0,0|1,0,1]=4 1368 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [1,1,0,0,0,0|1,0,1]=4 1369 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [1,1,0,0,0,0|1,0,1]=4 1370 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [1,1,0,0,0,0|0,0,2]=4 1371 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [1,1,0,0,0,0|0,0,2]=4 1372 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [1,1,0,0,0,0|0,0,2]=4 1373 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [1,1,0,0,0,0|0,0,2]=4 1374 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [1,1,0,0,0,0|0,0,2]=4 1375 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [1,1,0,0,0,0|0,0,2]=4 1376 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [1,1,0,0,0,0|1,0,1]=4 1377 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [1,1,0,0,0,0|1,0,1]=4 1378 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [1,1,0,0,0,0|1,0,0]=3 1379 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [1,1,0,0,0,0|1,0,1]=4 1380 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [1,1,0,0,0,0|0,0,2]=4 1381 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [1,1,0,0,0,0|0,0,1]=3 1382 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,1,0,0,0,0|1,0,1]=4 1383 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [1,1,0,0,0,0|1,0,0]=3 1384 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [1,1,0,0,0,0|1,0,0]=3 1385 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [1,1,0,0,0,0|1,0,0]=3 1386 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [1,1,0,0,0,0|1,0,0]=3 1387 B7R0.3 C=CCCC(=O)NN MCULE-1170308182 [1,1,0,0,0,0|1,0,1]=4 1388 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [1,1,0,0,0,0|0,0,1]=3 1389 B7R0.3 C=CCCC(=S)OC MCULE-4709907145 [1,1,0,0,0,0|0,1,1]=4 1390 B7R0.3 C=CCNC(=O)CBr MCULE-5894560132 [1,1,0,0,0,0|2,0,0]=4 1391 B7R0.3 C=CCNC(=O)CCl MCULE-4830676670 [1,1,0,0,0,0|2,0,0]=4 1392 B7R0.3 C=CCNC(=O)CN MCULE-8221456161 [1,1,0,0,0,0|2,0,0]=4 1393 B7R0.3 C=CCNC(=O)CN MCULE-9764331326 [1,1,0,0,0,0|2,0,0]=4 1394 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [1,1,0,0,0,0|1,0,1]=4 1395 B7R0.3 C=CCNC(=O)CS MCULE-1040670812 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.3 C=CCOC(=O)CBr MCULE-1915528510 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.3 C=CCOC(=O)CCl MCULE-4722834512 [1,1,0,0,0,0|2,0,0]=4 1398 B7R0.3 C=CCOC(=O)CI MCULE-1155914135 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.3 C=CCOC(=O)CN MCULE-2053601318 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.3 C=CCOC(=O)CN MCULE-8513191813 [1,1,0,0,0,0|2,0,0]=4 1401 B7R0.3 C=CCOC(=O)CS MCULE-3191036289 [1,1,0,0,0,0|2,0,0]=4 1402 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [1,1,0,0,0,0|1,0,1]=4 1403 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [1,1,0,0,0,0|0,0,2]=4 1404 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [1,1,0,0,0,0|0,0,1]=3 1405 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [1,1,0,0,0,0|0,0,2]=4 1406 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [1,1,0,0,0,0|0,0,2]=4 1407 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [1,1,0,0,0,0|1,0,1]=4 1408 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [1,1,0,0,0,0|1,0,1]=4 1409 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [1,1,0,0,0,0|1,0,1]=4 1410 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [1,1,0,0,0,0|1,0,1]=4 1411 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,1,0,0,0,0|1,0,1]=4 1412 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [1,1,0,0,0,0|1,0,1]=4 1414 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [1,1,0,0,0,0|1,0,1]=4 1415 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [1,1,0,0,0,0|1,0,1]=4 1416 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [1,1,0,0,0,0|1,0,1]=4 1417 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [1,1,0,0,0,0|1,0,1]=4 1418 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [1,1,0,0,0,0|1,0,1]=4 1419 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [1,1,0,0,0,0|1,0,1]=4 1420 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [1,1,0,0,0,0|0,0,1]=3 1421 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [1,1,0,0,0,0|1,0,1]=4 1422 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [1,1,0,0,0,0|1,0,1]=4 1423 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [1,1,0,0,0,0|1,0,1]=4 1424 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [1,1,0,0,0,0|1,0,1]=4 1425 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [1,1,0,0,0,0|1,0,1]=4 1426 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [1,1,0,0,0,0|1,0,1]=4 1427 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [1,1,0,0,0,0|1,0,1]=4 1428 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [1,1,0,0,0,0|1,0,1]=4 1429 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [1,1,0,0,0,0|0,0,1]=3 1430 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [1,1,0,0,0,0|2,0,0]=4 1431 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [1,1,0,0,0,0|1,0,1]=4 1432 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [1,1,0,0,0,0|1,0,1]=4 1433 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [1,1,0,0,0,0|2,0,0]=4 1434 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [1,1,0,0,0,0|2,0,0]=4 1435 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [1,1,0,0,0,0|2,0,0]=4 1436 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [1,1,0,0,0,0|2,0,0]=4 1437 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [1,1,0,0,0,0|1,0,0]=3 1438 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [1,1,0,0,0,0|1,0,0]=3 1439 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [1,1,0,0,0,0|2,0,0]=4 1440 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [1,1,0,0,0,0|2,0,0]=4 1441 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [1,1,0,0,0,0|0,0,2]=4 1442 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [1,1,0,0,0,0|1,0,1]=4 1443 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [1,1,0,0,0,0|0,0,0]=2 1444 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [1,1,0,0,0,0|1,0,1]=4 1445 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [1,1,0,0,0,0|1,0,1]=4 1446 B7R0.3 COC(=O)CCCI MCULE-6607823615 [1,1,0,0,0,0|1,0,1]=4 1447 B7R0.3 COC(=O)CCCN MCULE-2399653885 [1,1,0,0,0,0|1,0,1]=4 1448 B7R0.3 COC(=O)CCCN MCULE-7745643244 [1,1,0,0,0,0|1,0,1]=4 1449 B7R0.3 COC(=O)CCCO MCULE-6149839873 [1,1,0,0,0,0|0,0,1]=3 1450 B7R0.3 COC(=O)CCCS MCULE-6897052882 [1,1,0,0,0,0|0,1,1]=4 1451 B7R0.3 COC(=O)CCSC MCULE-8525618169 [1,1,0,0,0,0|1,0,0]=3 1452 B7R0.3 COC(=O)CN=C=O MCULE-4495056254 [1,1,0,0,0,0|1,0,1]=4 1453 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [1,1,0,0,0,0|1,0,0]=3 1454 B7R0.3 COC(=O)NCCO MCULE-7141835204 [1,1,0,0,0,0|1,0,1]=4 1455 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [1,1,0,0,0,0|2,0,0]=4 1456 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [1,1,0,0,0,0|2,0,0]=4 1457 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [1,1,0,0,0,0|2,0,0]=4 1458 B7R0.3 COCCC(=O)NN MCULE-6895114863 [1,1,0,0,0,0|2,0,0]=4 1459 B7R0.3 COCCC(=O)OC MCULE-5918489580 [1,1,0,0,0,0|1,0,0]=3 1460 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [1,1,0,0,0,0|1,0,1]=4 1461 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [1,1,0,0,0,0|1,0,1]=4 1462 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [1,1,0,0,0,0|1,0,1]=4 1463 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [1,1,0,0,0,0|1,0,1]=4 1464 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [1,1,0,0,0,0|1,0,1]=4 1465 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [1,1,0,0,0,0|1,0,1]=4 1466 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,1,0,0,0,0|1,0,1]=4 1467 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,1,0,0,0,0|0,0,2]=4 1468 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [1,1,0,0,0,0|1,0,1]=4 1469 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,1,0,0,0,0|0,0,2]=4 1470 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,1,0,0,0,0|0,0,2]=4 1471 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,1,0,0,0,0|0,0,2]=4 1472 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,1,0,0,0,0|0,0,2]=4 1473 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|0,0,2]=4 1474 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|0,0,1]=3 1475 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [1,1,0,0,0,0|0,0,2]=4 1476 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [1,1,0,0,0,0|0,0,2]=4 1477 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [1,1,0,0,0,0|1,0,1]=4 1478 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [1,1,0,0,0,0|2,0,0]=4 1479 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|0,0,1]=3 1480 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,1,0,0,0,0|1,0,1]=4 1481 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|0,0,1]=3 1482 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [1,1,0,0,0,0|1,0,0]=3 1483 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [1,1,0,0,0,0|1,0,1]=4 1484 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|0,0,1]=3 1485 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|0,0,1]=3 1486 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|0,0,1]=3 1487 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [1,1,0,0,0,0|2,0,0]=4 1488 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|0,0,1]=3 1489 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,1,0,0,0,0|0,0,1]=3 1490 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [1,1,0,0,0,0|1,0,0]=3 1491 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [1,1,0,0,0,0|1,0,1]=4 1492 B7R0.4 CC(=CCOC=O)C MCULE-1475053986 [1,1,0,0,0,0|1,0,1]=4 1493 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,1,0,0,0,0|1,0,1]=4 1494 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,1,0,0,0,0|1,0,1]=4 1495 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,1,0,0,0,0|1,0,1]=4 1496 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|0,0,1]=3 1497 B7R0.4 CC(=O)CCN=N#N MCULE-3526103207 [1,1,0,0,0,0|2,0,0]=4 1498 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,1,0,0,0,0|1,0,1]=4 1499 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [1,1,0,0,0,0|1,0,1]=4 1500 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [1,1,0,0,0,0|0,0,0]=2 1501 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,1,0,0,0,0|1,0,1]=4 1502 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,1,0,0,0,0|1,0,1]=4 1503 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,1,0,0,0,0|1,0,1]=4 1504 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,1,0,0,0,0|1,0,1]=4 1505 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,1,0,0,0,0|0,0,1]=3 1506 B7R0.4 CC(=O)NCCON MCULE-3703048482 [1,1,0,0,0,0|1,0,1]=4 1507 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [1,1,0,0,0,0|1,0,1]=4 1508 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [1,1,0,0,0,0|1,0,1]=4 1509 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [1,1,0,0,0,0|1,0,1]=4 1510 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,1,0,0,0,0|0,0,1]=3 1511 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [1,1,0,0,0,0|0,1,1]=4 1512 B7R0.4 CC(=O)SCCC#N MCULE-4159295037 [1,1,0,0,0,0|1,0,1]=4 1513 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [1,1,0,0,0,0|0,0,0]=2 1514 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [1,1,0,0,0,0|1,0,1]=4 1515 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [1,1,0,0,0,0|1,0,1]=4 1516 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|0,0,1]=3 1517 B7R0.4 CC(C)CCCC=O MCULE-2846844109 [1,1,0,0,0,0|1,0,1]=4 1518 B7R0.4 CC(C)CCOC=O MCULE-3671444552 [1,1,0,0,0,0|1,0,1]=4 1519 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [1,1,0,0,0,0|0,0,2]=4 1520 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|0,0,0]=2 1521 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|0,0,1]=3 1522 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,1,0,0,0,0|0,0,2]=4 1523 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|0,0,2]=4 1524 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,1,0,0,0,0|1,0,1]=4 1525 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,1,0,0,0,0|1,0,1]=4 1526 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,1,0,0,0,0|1,0,1]=4 1527 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,1,0,0,0,0|0,0,1]=3 1528 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,1,0,0,0,0|0,0,2]=4 1529 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,1,0,0,0,0|0,0,2]=4 1530 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,1,0,0,0,0|1,0,1]=4 1531 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,1,0,0,0,0|1,0,1]=4 1532 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,1,0,0,0,0|1,0,1]=4 1533 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,1,0,0,0,0|1,0,1]=4 1534 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,1,0,0,0,0|1,0,1]=4 1535 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,1,0,0,0,0|1,0,1]=4 1536 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,1,0,0,0,0|1,0,1]=4 1537 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,1,0,0,0,0|1,0,1]=4 1538 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,1,0,0,0,0|1,0,1]=4 1539 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,1,0,0,0,0|1,0,1]=4 1540 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|0,0,1]=3 1541 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|0,0,1]=3 1542 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|0,0,1]=3 1543 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,1,0,0,0,0|1,0,1]=4 1544 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|0,0,1]=3 1545 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,1,0,0,0,0|1,0,1]=4 1546 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,1,0,0,0,0|1,0,1]=4 1547 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|0,0,1]=3 1548 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|0,0,1]=3 1549 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,1,0,0,0,0|1,0,1]=4 1550 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,1,0,0,0,0|1,0,1]=4 1551 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,1,0,0,0,0|0,0,1]=3 1552 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|0,0,1]=3 1553 B7R0.4 CN(C)CCCC=O MCULE-1296611805 [1,1,0,0,0,0|2,0,0]=4 1554 B7R0.4 CN(C)CCNC=O MCULE-6221074161 [1,1,0,0,0,0|2,0,0]=4 1555 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,1,0,0,0,0|1,0,1]=4 1556 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,1,0,0,0,0|1,0,1]=4 1557 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|0,0,1]=3 1558 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|0,0,1]=3 1559 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,1,0,0,0,0|2,0,0]=4 1560 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,1,0,0,0,0|2,0,0]=4 1561 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,1,0,0,0,0|2,0,0]=4 1562 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,1,0,0,0,0|2,0,0]=4 1563 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,1,0,0,0,0|1,0,1]=4 1564 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [1,1,0,0,0,0|1,0,1]=4 1565 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,1,0,0,0,0|1,0,1]=4 1566 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|0,0,1]=3 1567 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|0,0,1]=3 1568 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,1,0,0,0,0|1,0,1]=4 1569 B7R0.4 COCCNC(=O)N MCULE-1380726553 [1,1,0,0,0,0|2,0,0]=4 1570 B7R0.4 COCCOC(=O)C MCULE-3221264060 [1,1,0,0,0,0|1,0,1]=4 1571 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [1,1,0,0,0,0|2,0,0]=4 1572 B7R0.4 COCCOC(=O)N MCULE-3401505850 [1,1,0,0,0,0|2,0,0]=4 1573 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,1,0,0,0,0|1,0,1]=4 1574 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,1,0,0,0,0|0,0,1]=3 1575 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,1,0,0,0,0|2,0,0]=4 1576 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,1,0,0,0,0|2,0,0]=4 1577 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,1,0,0,0,0|2,0,0]=4 1578 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,1,0,0,0,0|1,0,0]=3 1579 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,1,0,0,0,0|0,0,2]=4 1580 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,1,0,0,0,0|1,0,1]=4 1581 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,1,0,0,0,0|2,0,0]=4 1582 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,1,0,0,0,0|1,0,1]=4 1583 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,1,0,0,0,0|1,0,1]=4 1584 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,1,0,0,0,0|1,0,1]=4 1585 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,1,0,0,0,0|1,0,1]=4 1586 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,1,0,0,0,0|1,0,1]=4 1587 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,1,0,0,0,0|1,0,1]=4 1588 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,1,0,0,0,0|1,0,1]=4 1589 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,1,0,0,0,0|1,0,1]=4 1590 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|0,0,1]=3 1591 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|0,0,1]=3 1592 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|0,0,1]=3 1593 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|0,0,1]=3 1594 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|1,0,1]=4 1595 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|1,0,1]=4 1596 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|1,0,1]=4 1597 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|1,0,1]=4 1598 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|1,0,1]=4 1599 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|1,0,1]=4 1600 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|0,0,2]=4 1601 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|0,0,2]=4 1602 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,1,0,0,0,0|1,0,1]=4 1603 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,1,0,0,0,0|1,0,1]=4 1604 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,1,0,0,0,0|1,0,1]=4 1605 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|0,0,1]=3 1606 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,1,0,0,0,0|0,0,1]=3 1607 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,1,0,0,0,0|0,0,1]=3 1608 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|0,0,1]=3 1609 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,1,0,0,0,0|0,0,1]=3 1610 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|0,0,2]=4 1611 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|1,0,1]=4 1612 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|1,0,1]=4 1613 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|1,0,1]=4 1614 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|0,0,2]=4 1615 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|1,0,1]=4 1616 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|0,0,2]=4 1617 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,1,0,0,0,0|0,0,2]=4 1618 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,1,0,0,0,0|1,0,1]=4 1619 B7R0.4 O=C=NCCC(=O)Cl MCULE-4830401558 [1,1,0,0,0,0|1,0,1]=4 1620 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|0,0,0]=2 1621 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,1,0,0,0,0|0,0,2]=4 1622 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [1,1,0,0,0,0|0,0,2]=4 1623 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,1,0,0,0,0|0,0,2]=4 1624 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,1,0,0,0,0|0,0,2]=4 1625 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,1,0,0,0,0|0,0,2]=4 1626 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,1,0,0,0,0|0,0,2]=4 1627 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [1,1,0,0,0,0|0,0,2]=4 1628 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,1,0,0,0,0|0,0,2]=4 1629 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,1,0,0,0,0|0,0,2]=4 1630 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,1,0,0,0,0|0,0,2]=4 1631 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,1,0,0,0,0|0,0,2]=4 1632 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,1,0,0,0,0|0,0,2]=4 1633 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,1,0,0,0,0|0,0,2]=4 1634 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,1,0,0,0,0|0,0,2]=4 1635 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,1,0,0,0,0|0,0,2]=4 1636 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,1,0,0,0,0|0,0,2]=4 1637 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [1,1,0,0,0,0|1,0,1]=4 1638 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [1,1,0,0,0,0|1,0,0]=3 1639 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,1,0,0,0,0|0,0,1]=3 1640 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,1,0,0,0,0|0,0,1]=3 1641 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,1,0,0,0,0|0,0,1]=3 1642 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,1,0,0,0,0|0,0,1]=3 1643 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,1,0,0,0,0|0,0,1]=3 1644 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [1,1,0,0,0,0|0,0,1]=3 1645 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,1,0,0,0,0|0,0,1]=3 1646 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,1,0,0,0,0|0,0,1]=3 1647 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,1,0,0,0,0|0,0,1]=3 1648 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,1,0,0,0,0|0,0,1]=3 1649 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [1,1,0,0,0,0|0,0,1]=3 1650 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,1,0,0,0,0|0,0,1]=3 1651 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,1,0,0,0,0|0,0,1]=3 1652 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,1,0,0,0,0|0,0,1]=3 1653 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,1,0,0,0,0|0,0,1]=3 1654 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [1,1,0,0,0,0|0,0,1]=3 1655 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,1,0,0,0,0|1,0,1]=4 1656 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,1,0,0,0,0|1,0,1]=4 1657 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,1,0,0,0,0|0,0,1]=3 1658 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [1,1,0,0,0,0|1,0,1]=4 1659 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [1,1,0,0,0,0|0,0,1]=3 1660 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [1,1,0,0,0,0|1,0,1]=4 1661 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,1,0,0,0,0|1,0,1]=4 1662 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,1,0,0,0,0|1,0,1]=4 1663 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,1,0,0,0,0|1,0,1]=4 1664 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,1,0,0,0,0|0,0,2]=4 1665 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,1,0,0,0,0|1,0,1]=4 1666 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,1,0,0,0,0|1,0,0]=3 1667 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,1,0,0,0,0|0,0,1]=3 1668 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [1,1,0,0,0,0|0,0,1]=3 1669 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,1,0,0,0,0|0,0,2]=4 1670 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,1,0,0,0,0|1,0,1]=4 1671 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,1,0,0,0,0|0,0,1]=3 1672 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,1,0,0,0,0|1,0,1]=4 1673 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,1,0,0,0,0|1,0,1]=4 1674 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,1,0,0,0,0|1,0,1]=4 1675 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,1,0,0,0,0|0,0,1]=3 1676 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,1,0,0,0,0|0,0,1]=3 1677 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,1,0,0,0,0|0,0,1]=3 1678 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,1,0,0,0,0|1,0,1]=4 1679 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,1,0,0,0,0|1,0,1]=4 1680 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,1,0,0,0,0|0,0,1]=3 1681 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,1,0,0,0,0|0,0,1]=3 1682 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,1,0,0,0,0|0,0,1]=3 1683 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,1,0,0,0,0|1,0,1]=4 1684 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,1,0,0,0,0|0,0,1]=3 1685 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,1,0,0,0,0|0,0,1]=3 1686 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,1,0,0,0,0|0,0,1]=3 1687 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,1,0,0,0,0|0,0,1]=3 1688 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,1,0,0,0,0|0,0,1]=3 1689 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,1,0,0,0,0|0,0,1]=3 1690 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,1,0,0,0,0|1,0,1]=4 1691 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,1,0,0,0,0|1,0,1]=4 1692 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,1,0,0,0,0|1,0,1]=4 1693 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,1,0,0,0,0|1,0,1]=4 1694 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,1,0,0,0,0|0,0,1]=3 1695 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,1,0,0,0,0|0,0,1]=3 1696 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,1,0,0,0,0|0,0,1]=3 1697 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,1,0,0,0,0|0,0,1]=3 1698 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,1,0,0,0,0|0,0,1]=3 1699 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,1,0,0,0,0|1,0,1]=4 1700 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,1,0,0,0,0|1,0,1]=4 1701 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,1,0,0,0,0|1,0,1]=4 1702 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,1,0,0,0,0|1,0,1]=4 1703 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,1,0,0,0,0|1,0,1]=4 1704 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,1,0,0,0,0|1,0,0]=3 1705 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,1,0,0,0,0|1,0,0]=3 1706 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,1,0,0,0,0|1,0,0]=3 1707 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,1,0,0,0,0|1,0,0]=3 1708 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,1,0,0,0,0|1,0,0]=3 1709 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,1,0,0,0,0|1,0,0]=3 1710 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,1,0,0,0,0|1,0,0]=3 1711 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,1,0,0,0,0|1,0,0]=3 1712 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,1,0,0,0,0|1,0,0]=3 1713 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [1,1,0,0,0,0|2,0,0]=4 1714 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,1,0,0,0,0|1,0,0]=3 1715 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,1,0,0,0,0|1,0,0]=3 1716 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [1,1,0,0,0,0|2,0,0]=4 1717 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [1,1,0,0,0,0|2,0,0]=4 1718 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,1,0,0,0,0|1,0,0]=3 1719 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,1,0,0,0,0|1,0,0]=3 1720 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,1,0,0,0,0|1,0,0]=3 1721 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,1,0,0,0,0|1,0,0]=3 1722 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,1,0,0,0,0|1,0,0]=3 1723 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,1,0,0,0,0|1,0,0]=3 1724 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,1,0,0,0,0|1,0,0]=3 1725 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,1,0,0,0,0|1,0,0]=3 1726 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,1,0,0,0,0|1,0,0]=3 1727 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,1,0,0,0,0|1,0,0]=3 1728 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,1,0,0,0,0|1,0,0]=3 1729 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,1,0,0,0,0|1,0,0]=3 1730 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,1,0,0,0,0|1,0,0]=3 1731 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,1,0,0,0,0|1,0,0]=3 1732 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,1,0,0,0,0|1,0,0]=3 1733 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,1,0,0,0,0|1,0,0]=3 1734 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,1,0,0,0,0|1,0,0]=3 1735 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,1,0,0,0,0|0,1,1]=4 1736 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,1,0,0,0,0|1,0,0]=3 1737 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,1,0,0,0,0|1,0,0]=3 1738 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,1,0,0,0,0|1,0,0]=3 1739 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,1,0,0,0,0|1,0,0]=3 1740 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,1,0,0,0,0|1,0,0]=3 1741 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,1,0,0,0,0|1,0,0]=3 1742 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,1,0,0,0,0|1,0,0]=3 1743 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,1,0,0,0,0|1,0,0]=3 1744 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,1,0,0,0,0|1,0,1]=4 1745 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,1,0,0,0,0|1,0,1]=4 1746 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,1,0,0,0,0|1,0,1]=4 1747 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,1,0,0,0,0|1,0,1]=4 1748 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,1,0,0,0,0|1,0,1]=4 1749 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,1,0,0,0,0|1,0,1]=4 1750 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,1,0,0,0,0|1,0,1]=4 1751 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,1,0,0,0,0|0,0,2]=4 1752 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,1,0,0,0,0|0,0,2]=4 1753 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,1,0,0,0,0|0,1,1]=4 1754 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,1,0,0,0,0|0,1,1]=4 1755 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,1,0,0,0,0|1,0,1]=4 1756 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,1,0,0,0,0|1,0,1]=4 1757 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,1,0,0,0,0|1,0,1]=4 1758 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,1,0,0,0,0|1,0,1]=4 1759 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,1,0,0,0,0|1,0,1]=4 1760 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,1,0,0,0,0|1,0,1]=4 1761 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,1,0,0,0,0|1,0,1]=4 1762 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,1,0,0,0,0|1,0,1]=4 1763 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,1,0,0,0,0|1,0,1]=4 1764 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,1,0,0,0,0|1,0,1]=4 1765 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,1,0,0,0,0|1,0,1]=4 1766 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,1,0,0,0,0|1,0,1]=4 1767 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,1,0,0,0,0|1,0,1]=4 1768 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,1,0,0,0,0|1,0,1]=4 1770 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,1,0,0,0,0|1,0,1]=4 1771 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,1,0,0,0,0|1,0,1]=4 1772 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,1,0,0,0,0|1,0,1]=4 1773 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,1,0,0,0,0|1,0,1]=4 1774 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,1,0,0,0,0|1,0,1]=4 1775 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,1,0,0,0,0|1,0,1]=4 1776 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,1,0,0,0,0|1,0,1]=4 1777 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,1,0,0,0,0|1,0,1]=4 1778 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,1,0,0,0,0|1,0,1]=4 1779 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,1,0,0,0,0|1,0,1]=4 1780 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,1,0,0,0,0|1,0,1]=4 1781 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,1,0,0,0,0|1,0,1]=4 1782 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,1,0,0,0,0|1,0,1]=4 1783 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,1,0,0,0,0|2,0,0]=4 1784 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,1,0,0,0,0|1,0,1]=4 1785 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,1,0,0,0,0|1,0,1]=4 1786 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,1,0,0,0,0|1,0,1]=4 1787 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,1,0,0,0,0|1,0,1]=4 1788 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,1,0,0,0,0|0,0,2]=4 1789 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,1,0,0,0,0|0,0,2]=4 1790 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,1,0,0,0,0|0,1,1]=4 1791 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,1,0,0,0,0|0,1,1]=4 1792 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,1,0,0,0,0|1,1,0]=4 1793 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,1,0,0,0,0|1,0,1]=4 1794 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,1,0,0,0,0|1,0,1]=4 1795 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,1,0,0,0,0|0,0,2]=4 1796 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,1,0,0,0,0|0,0,2]=4 1797 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,1,0,0,0,0|0,1,1]=4 1798 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,1,0,0,0,0|0,1,1]=4 1799 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,1,0,0,0,0|1,0,1]=4 1800 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,1,0,0,0,0|0,0,2]=4 1801 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,1,0,0,0,0|0,0,2]=4 1802 B7R0.8 CC(C)(C)CCC=O MCULE-1451861515 [1,1,0,0,0,0|1,0,1]=4 1803 B7R0.8 CC(F)(F)CCC=O MCULE-8198686125 [1,1,0,0,0,0|1,0,1]=4 1804 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [1,1,0,0,0,0|1,0,1]=4 1805 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [1,1,0,0,0,0|1,0,1]=4 1806 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [1,1,0,0,0,0|2,0,0]=4 1807 B7R0.8 CS(=O)(=O)CCC=O MCULE-1821843669 [1,1,0,0,0,0|1,0,0]=3 1808 B7R0.8 CS(=O)(=O)CCCO MCULE-6816358475 [1,1,0,0,0,0|1,0,1]=4 1809 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,1,0,0,1,0|2,0,0]=4 1810 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,0,0,1,0|1,0,1]=4 1811 B7R0.9 CC(=O)CS(=O)(=O)C MCULE-5686426572 [0,1,0,0,1,0|1,0,1]=4 1812 B7R0.9 CC(=O)CS(=O)(=O)F MCULE-1649143366 [0,1,0,0,1,0|1,0,1]=4 1813 B7R0.9 CC(=O)CS(=O)(=O)N MCULE-1632563820 [0,1,0,0,1,0|1,0,1]=4 1814 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,1,0,0,1,0|2,0,0]=4 1815 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,0,0,1,0|1,0,1]=4 1816 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,0,0,1,0|1,0,1]=4 1817 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,1,0|1,0,1]=4 1818 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,1,0|1,0,1]=4 1819 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,1,0|1,0,1]=4 1820 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,1,0|0,0,2]=4 1821 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,0,0,1,0|0,1,1]=4 1822 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,1,0,0,1,0|1,0,1]=4 1823 B7R0.9 CS(=O)(=O)CC(=O)Cl MCULE-9861100117 [0,1,0,0,1,0|2,0,0]=4 1824 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [0,1,0,0,1,0|2,0,0]=4 1825 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,1,0|1,0,0]=3 1826 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,1,0,0,1,0|2,0,0]=4 1827 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,1,0,0,1,0|2,0,0]=4 1828 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,1,0,0,1,0|1,1,0]=4 1829 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,1,0|2,0,0]=4 1830 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,1,0|2,0,0]=4 1831 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,1,0|2,0,0]=4 1832 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,1,0|1,0,1]=4 1833 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,1,0|2,0,0]=4 1834 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,1,0|1,0,0]=3 1835 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,1,0|1,0,0]=3 1836 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,1,0|1,0,0]=3 1837 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,1,0|1,0,0]=3 1838 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,1,0|2,0,0]=4 1839 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,1,0|1,0,0]=3 1840 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,1,0|1,0,0]=3 1841 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,1,0|1,0,0]=3 1842 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,1,0|1,0,0]=3 1843 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,1,0|1,0,1]=4 1844 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,1,0|1,0,1]=4 1845 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,1,0|1,0,1]=4 1846 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,1,0|1,0,1]=4 1847 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,1,0|1,0,1]=4 1848 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,1,0|1,0,0]=3 1849 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,1,0|1,0,0]=3 1850 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,1,0|1,0,0]=3 1851 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,1,0|1,0,0]=3 1852 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,1,0|1,0,0]=3 1853 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,1,0|1,0,0]=3 1854 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,1,0,0,1,0|2,0,0]=4 1855 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,1,0|1,0,1]=4 1856 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,1,0|1,0,1]=4 1857 B7R0.16 CC(C(=O)Cl)C(=O)Cl MCULE-5269923120 [0,1,0,0,1,0|2,0,0]=4 1858 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,1,0,0,1,0|2,0,0]=4 1859 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,1,0|1,0,0]=3 1860 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,1,0|2,0,0]=4 1861 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,1,0|2,0,0]=4 1862 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,1,0|2,0,0]=4 1863 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-4632089491 [0,1,0,0,1,0|1,0,1]=4 1864 B7R0.16 CC(C(=O)[O-])C(=O)[O-] MCULE-8764180648 [0,1,0,0,1,0|1,0,1]=4 1865 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,1,0|1,0,1]=4 1866 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,1,0|1,0,1]=4 1867 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,1,0|1,0,1]=4 1868 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,1,0|1,0,1]=4 1869 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,1,0|1,0,1]=4 1870 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,1,0|1,0,1]=4 1871 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,1,0|1,0,1]=4 1872 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,1,0|1,0,1]=4 1873 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,1,0|1,0,1]=4 1874 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,1,0|1,0,1]=4 1875 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,1,0|1,0,1]=4 1876 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,1,0|1,0,1]=4 1877 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,1,0|1,0,1]=4 1878 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,1,0|1,0,1]=4 1879 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,1,0|1,0,1]=4 1880 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,1,0|1,0,1]=4 1881 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,1,0|1,0,1]=4 1882 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,1,0|1,0,1]=4 1883 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,1,0|1,0,1]=4 1884 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,1,0|1,0,1]=4 1885 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,1,0|1,0,1]=4 1886 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,1,0|1,0,1]=4 1887 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,1,0|1,0,1]=4 1888 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,1,0|1,0,1]=4 1889 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,1,0|1,0,1]=4 1890 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,1,0|1,0,1]=4 1891 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,1,0|1,0,1]=4 1892 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,1,0|1,0,1]=4 1893 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,1,0|1,0,1]=4 1894 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,1,0|1,0,1]=4 1895 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,1,0|0,0,2]=4 1896 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,1,0|0,0,2]=4 1897 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,1,0|0,0,2]=4 1898 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,1,0|2,0,0]=4 1899 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,1,0|2,0,0]=4 1900 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,1,0|2,0,0]=4 1901 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,1,0|1,0,1]=4 1902 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,1,0|0,0,2]=4 1903 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,1,0|0,0,2]=4 1904 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,1,0|0,0,2]=4 1905 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,1,0|0,0,2]=4 1906 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,1,0|0,0,2]=4 1907 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,1,0|0,0,2]=4 1908 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,1,0|0,0,2]=4 1909 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,1,0|0,0,2]=4 1910 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,1,0|0,0,2]=4 1911 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,1,0|0,0,2]=4 1912 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,1,0|2,0,0]=4 1913 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,1,0|2,0,0]=4 1914 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,1,0|1,0,1]=4 1915 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,1,0|1,0,1]=4 1916 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,1,0|0,0,2]=4 1917 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,1,0|1,0,1]=4 1918 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,1,0|1,0,1]=4 1919 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,1,0|1,0,1]=4 1920 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,1,0|1,0,1]=4 1921 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,1,0|0,0,2]=4 1922 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,1,0|0,0,2]=4 1923 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,1,0|0,0,2]=4 1924 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,1,0|0,0,2]=4 1925 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,1,0|0,0,2]=4 1926 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,1,0|0,0,2]=4 1927 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,1,0,0,1,0|2,0,0]=4 1928 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,1,0|2,0,0]=4 1929 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,1,0|1,0,0]=3 1930 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,1,0|1,0,1]=4 1931 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,1,0|1,0,0]=3 1932 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,1,0|1,0,0]=3 1933 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,1,0|1,0,0]=3 1934 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,1,0,0,0,1|1,0,0]=3 1935 B9R0.1 C=CC(=O)OCCC(=O)O MCULE-6407187257 [0,1,0,0,0,1|0,0,1]=3 1936 B9R0.1 CC(O)CCNC(=O)CN MCULE-2254047793 [0,1,0,0,0,1|1,0,1]=4 1937 B9R0.1 CC(O)CCNC(=O)CN MCULE-3406589793 [0,1,0,0,0,1|1,0,1]=4 1938 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [0,1,0,0,0,1|1,0,0]=3 1939 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,1,0,0,0,1|0,0,0]=2 1940 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,1,0,0,0,1|0,0,0]=2 1941 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,1,0,0,0,1|1,0,1]=4 1942 B9R0.1 CN(CCCC(=O)O)N=O MCULE-9429394767 [0,1,0,0,0,1|1,0,0]=3 1943 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,1,0,0,0,1|0,0,0]=2 1944 B9R0.1 CNC(=O)COCC(=O)O MCULE-6654181237 [0,1,0,0,0,1|0,0,0]=2 1945 B9R0.1 CNC(=O)NCCC(=O)O MCULE-2339960341 [0,1,0,0,0,1|0,0,0]=2 1946 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,1,0,0,0,1|0,0,0]=2 1947 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [0,1,0,0,0,1|1,0,0]=3 1948 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,1,0,0,0,1|0,0,0]=2 1949 B9R0.1 COC(=O)CCCC(=S)N MCULE-8415864487 [0,1,0,0,0,1|1,1,0]=4 1950 B9R0.1 COC(=O)CCCN(=O)=O MCULE-6885475719 [0,1,0,0,0,1|1,0,1]=4 1951 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,1,0,0,0,1|0,0,0]=2 1952 B9R0.1 COC(=O)CCNC(=O)N MCULE-9678867682 [0,1,0,0,0,1|1,0,0]=3 1953 B9R0.1 COC(=O)CCNC(C)C MCULE-3115197137 [0,1,0,0,0,1|1,0,1]=4 1954 B9R0.1 COC(=O)CCOC(C)C MCULE-7375114794 [0,1,0,0,0,1|1,0,1]=4 1955 B9R0.1 COC(=O)CCON(=O)=O MCULE-8546508385 [0,1,0,0,0,1|1,0,1]=4 1956 B9R0.1 COC(=O)CNCC(=O)O MCULE-2471794774 [0,1,0,0,0,1|0,0,0]=2 1957 B9R0.1 COC(=O)CNCC(C)C MCULE-6522627999 [0,1,0,0,0,1|1,0,1]=4 1958 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,1,0,0,0,1|0,0,0]=2 1959 B9R0.1 COC(=O)COCC(=O)O MCULE-7342647633 [0,1,0,0,0,1|0,0,0]=2 1960 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [0,1,0,0,0,1|0,0,0]=2 1961 B9R0.1 COC(=O)CSCC(=O)O MCULE-3902674048 [0,1,0,0,0,1|0,0,0]=2 1962 B9R0.1 COC(=O)NCCC(=O)O MCULE-2819384794 [0,1,0,0,0,1|0,0,0]=2 1963 B9R0.1 COC(C)CCOC(=O)C MCULE-3980717537 [0,1,0,0,0,1|1,0,1]=4 1964 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,1,0,0,0,1|0,0,0]=2 1965 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,1,0,0,0,1|0,0,0]=2 1966 B9R0.1 NCC(=O)NCCC(=O)N MCULE-3860393064 [0,1,0,0,0,1|1,0,0]=3 1967 B9R0.1 NCC(=O)NCCC(=O)N MCULE-8788981043 [0,1,0,0,0,1|1,0,0]=3 1968 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,1,0,0,0,1|1,0,0]=3 1969 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,1,0,0,0,1|0,0,2]=4 1970 B9R0.1 O=C(O)CCNC(=O)CBr MCULE-6072289927 [0,1,0,0,0,1|0,0,0]=2 1971 B9R0.1 O=C(O)CCNC(=O)CCl MCULE-4076619762 [0,1,0,0,0,1|0,0,0]=2 1972 B9R0.1 O=C(O)CCNC(=O)CO MCULE-2710668626 [0,1,0,0,0,1|0,0,0]=2 1973 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,0,0,0,1|1,0,0]=3 1974 B9R0.7 C=C(C)C(=O)NCC(=O)O MCULE-9965285150 [0,1,0,0,0,1|1,0,1]=4 1975 B9R0.7 C=C(CCC(=O)O)C(=O)O MCULE-3502029665 [0,1,0,0,0,1|1,0,0]=3 1976 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,1,0,0,0,1|2,0,0]=4 1977 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,1,0,0,0,1|2,0,0]=4 1978 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,1,0,0,0,1|1,0,0]=3 1979 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,1,0,0,0,1|1,0,0]=3 1980 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,1,0,0,0,1|1,0,0]=3 1981 B9R0.7 CC(=NOC(C)C(=O)O)C MCULE-2667021953 [0,1,0,0,0,1|2,0,0]=4 1982 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,0,1|0,0,0]=2 1983 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,1,0,0,0,1|0,0,1]=3 1984 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,0,1|0,0,0]=2 1985 B9R0.7 CC(=O)N(C)CCC(=S)N MCULE-6233171905 [0,1,0,0,0,1|1,1,0]=4 1986 B9R0.7 CC(=O)NN=C(C)C(=O)O MCULE-4949211950 [0,1,0,0,0,1|1,0,1]=4 1987 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,0,0,0,1|0,0,0]=2 1988 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,0,0,0,1|0,0,0]=2 1989 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,0,0,0,1|0,0,0]=2 1990 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,0,0,0,1|0,0,0]=2 1991 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,0,0,0,1|0,0,0]=2 1992 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,0,0,0,1|0,0,0]=2 1993 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,0,0,0,1|0,0,0]=2 1994 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,0,0,0,1|0,0,0]=2 1995 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,0,0,0,1|0,0,0]=2 1996 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,0,0,0,1|0,0,0]=2 1997 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,0,0,0,1|0,0,0]=2 1998 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,0,0,0,1|0,0,0]=2 1999 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [0,1,0,0,0,1|1,0,0]=3 2000 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,1,0,0,0,1|0,0,0]=2 2001 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,0,0,0,1|0,0,0]=2 2002 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,0,0,0,1|0,0,0]=2 2003 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,1,0,0,0,1|0,0,0]=2 2004 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,1,0,0,0,1|0,0,0]=2 2005 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,0,0,0,1|0,0,0]=2 2006 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,0,0,0,1|0,0,0]=2 2007 B9R0.7 CC(C)C(=O)CCC(=O)O MCULE-9072643820 [0,1,0,0,0,1|1,0,1]=4 2008 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,1,0,0,0,1|1,0,1]=4 2009 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,1,0,0,0,1|1,0,1]=4 2010 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,1,0,0,0,1|1,0,1]=4 2011 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,1,0,0,0,1|1,0,1]=4 2012 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,1,0,0,0,1|1,0,1]=4 2013 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,1,0,0,0,1|1,0,1]=4 2014 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,1,0,0,0,1|1,0,1]=4 2015 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,1,0,0,0,1|1,0,1]=4 2016 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,1,0,0,0,1|1,0,1]=4 2017 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,1,0,0,0,1|1,0,1]=4 2018 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,1,0,0,0,1|1,0,1]=4 2019 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,1,0,0,0,1|1,0,1]=4 2020 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-1211739557 [0,1,0,0,0,1|1,0,1]=4 2021 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-7992959591 [0,1,0,0,0,1|1,0,1]=4 2022 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,1,0,0,0,1|1,0,1]=4 2023 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,1,0,0,0,1|1,0,1]=4 2024 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,1|1,0,0]=3 2025 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,1|1,0,0]=3 2026 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-5148332124 [0,1,0,0,0,1|2,0,0]=4 2027 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-6459126538 [0,1,0,0,0,1|2,0,0]=4 2028 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,1,0,0,0,1|2,0,0]=4 2029 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,1,0,0,0,1|2,0,0]=4 2030 B9R0.7 CC(CNC(=O)N)C(=O)O MCULE-6367938073 [0,1,0,0,0,1|1,0,0]=3 2031 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,0,1|1,0,0]=3 2032 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,0,1|1,0,0]=3 2033 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,0,1|1,0,0]=3 2034 B9R0.7 CN(C)C(=O)CCC(=O)O MCULE-7236596707 [0,1,0,0,0,1|2,0,0]=4 2035 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,1,0,0,0,1|2,0,0]=4 2036 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,1,0,0,0,1|2,0,0]=4 2037 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,1,0,0,0,1|2,0,0]=4 2038 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,1,0,0,0,1|2,0,0]=4 2039 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,0,0,0,1|1,0,0]=3 2040 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,0,0,0,1|1,0,0]=3 2041 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,0,0,0,1|1,0,0]=3 2042 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,0,0,0,1|1,0,0]=3 2043 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,0,0,0,1|1,0,0]=3 2044 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,0,0,0,1|1,0,0]=3 2045 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,1|1,0,0]=3 2046 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,1|1,0,0]=3 2047 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,1|1,0,0]=3 2048 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O MCULE-1884928652 [0,1,0,0,0,1|2,0,0]=4 2049 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,0,1|1,0,0]=3 2050 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,0,1|1,0,0]=3 2051 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,1,0,0,0,1|2,0,0]=4 2052 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,1,0,0,0,1|2,0,0]=4 2053 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,1,0,0,0,1|2,0,0]=4 2054 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,1,0,0,0,1|2,0,0]=4 2055 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,1,0,0,0,1|2,0,0]=4 2056 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,1,0,0,0,1|2,0,0]=4 2057 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,1,0,0,0,1|2,0,0]=4 2058 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,1,0,0,0,1|2,0,0]=4 2059 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,1,0,0,0,1|2,0,0]=4 2060 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,1,0,0,0,1|2,0,0]=4 2061 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,1,0,0,0,1|2,0,0]=4 2062 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,1,0,0,0,1|2,0,0]=4 2063 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,1,0,0,0,1|2,0,0]=4 2064 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,1,0,0,0,1|2,0,0]=4 2065 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-1177262947 [0,1,0,0,0,1|2,0,0]=4 2066 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-2474644851 [0,1,0,0,0,1|2,0,0]=4 2067 B9R0.7 N=C(N)NCC(N)C(=O)O MCULE-5671557476 [0,1,0,0,0,1|2,0,0]=4 2068 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3050097417 [0,1,0,0,0,1|2,0,0]=4 2069 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-3499032906 [0,1,0,0,0,1|2,0,0]=4 2070 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-4835798272 [0,1,0,0,0,1|2,0,0]=4 2071 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8355456866 [0,1,0,0,0,1|2,0,0]=4 2072 B9R0.7 N=C(N)NC[C@H](N)C(=O)O MCULE-8635327390 [0,1,0,0,0,1|2,0,0]=4 2073 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,1|1,0,0]=3 2074 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,1|1,0,0]=3 2075 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,0,0,0,1|1,0,0]=3 2076 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3069717045 [0,1,0,0,0,1|2,0,0]=4 2077 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-3964283106 [0,1,0,0,0,1|2,0,0]=4 2078 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8749190773 [0,1,0,0,0,1|2,0,0]=4 2079 B9R0.7 NC(=O)CC[C@@H](N)C(=O)N MCULE-8900435477 [0,1,0,0,0,1|2,0,0]=4 2080 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,0,0,0,1|1,0,0]=3 2081 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,0,0,0,1|1,0,0]=3 2082 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-2293558876 [0,1,0,0,0,1|2,0,0]=4 2083 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-5457304555 [0,1,0,0,0,1|2,0,0]=4 2084 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-7482897734 [0,1,0,0,0,1|2,0,0]=4 2085 B9R0.7 NC(=O)CC[C@H](N)C(=O)N MCULE-9074108708 [0,1,0,0,0,1|2,0,0]=4 2086 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,0,0,0,1|1,0,0]=3 2087 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,0,0,0,1|1,0,0]=3 2088 B9R0.7 NC(=O)NCC(N)C(=O)O MCULE-4609961006 [0,1,0,0,0,1|1,0,0]=3 2089 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O MCULE-7506737023 [0,1,0,0,0,1|1,0,0]=3 2090 B9R0.7 NC(=O)NC[C@H](N)C(=O)O MCULE-3123973606 [0,1,0,0,0,1|1,0,0]=3 2091 B9R0.7 NC(=O)NC[C@H]([NH3+])C(=O)[O-] MCULE-2674726108 [0,1,0,0,0,1|1,0,1]=4 2092 B9R0.7 NC(=O)SCC(N)C(=O)O MCULE-7865241343 [0,1,0,0,0,1|1,0,0]=3 2093 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-6647567669 [0,1,0,0,0,1|1,0,0]=3 2094 B9R0.7 NC(=O)SC[C@H](N)C(=O)O MCULE-7995535877 [0,1,0,0,0,1|1,0,0]=3 2095 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,1|1,0,0]=3 2096 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,1|1,0,0]=3 2097 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,1|1,0,0]=3 2098 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,1|1,0,0]=3 2099 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,1|1,0,0]=3 2100 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,1|1,0,0]=3 2101 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,0,0,0,1|1,0,0]=3 2102 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,0,0,0,1|1,0,0]=3 2103 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,0,0,0,1|1,0,0]=3 2104 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,0,0,0,1|1,0,0]=3 2105 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,0,0,0,1|1,0,0]=3 2106 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,0,0,0,1|1,0,0]=3 2107 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,0,0,0,1|1,0,0]=3 2108 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,0,0,0,1|1,0,0]=3 2109 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,0,0,0,1|1,0,0]=3 2110 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-3042990215 [0,1,0,0,0,1|1,0,0]=3 2111 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,0,0,0,1|1,0,0]=3 2112 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,0,0,0,1|1,0,0]=3 2113 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,0,0,0,1|1,0,0]=3 2114 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,0,0,0,1|1,0,0]=3 2115 B9R0.7 O=C(O)CCC(=C(F)F)F MCULE-4570016016 [0,1,0,0,0,1|2,0,0]=4 2116 B9R0.7 O=C(O)CCC(=O)C(=O)O MCULE-5148157449 [0,1,0,0,0,1|1,0,0]=3 2117 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] MCULE-3585102694 [0,1,0,0,0,1|1,0,0]=3 2118 B9R0.7 O=C(O)CCC(Cl)C(=O)O MCULE-8696439839 [0,1,0,0,0,1|1,0,0]=3 2119 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,1|1,0,0]=3 2120 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,1|1,0,0]=3 2121 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,1|1,0,0]=3 2122 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-3541564241 [0,1,0,0,0,1|1,0,0]=3 2123 B9R0.7 O=C(O)CC[C@H](Br)C(=O)O MCULE-5484001209 [0,1,0,0,0,1|1,0,0]=3 2124 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O MCULE-4338578978 [0,1,0,0,0,1|1,0,0]=3 2125 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,1|1,0,0]=3 2126 B9R0.7 O=C(O)CNC(=O)C(=O)O MCULE-6181171802 [0,1,0,0,0,1|1,0,1]=4 2127 B9R0.7 O=C([O-])CCC(=O)C(=O)O MCULE-3931336643 [0,1,0,0,0,1|1,0,0]=3 2128 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-2857630880 [0,1,0,0,0,1|1,0,1]=4 2129 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] MCULE-7607570800 [0,1,0,0,0,1|1,0,1]=4 2130 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-1880842258 [0,1,0,0,0,1|1,0,1]=4 2131 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4254561979 [0,1,0,0,0,1|1,0,1]=4 2132 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MCULE-4348197971 [0,1,0,0,0,1|1,0,1]=4 2133 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-2376048296 [0,1,0,0,0,1|1,0,1]=4 2134 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] MCULE-3046517186 [0,1,0,0,0,1|1,0,1]=4 2135 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-2350068178 [0,1,0,0,0,1|1,0,1]=4 2136 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] MCULE-8971415546 [0,1,0,0,0,1|1,0,1]=4 2137 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,0,0,0,1|2,0,0]=4 2138 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,1|1,0,0]=3 2139 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,0,0,0,1|1,0,0]=3 2140 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,0,0,0,1|1,0,0]=3 2141 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,1|1,0,0]=3 2142 B9R0.7 [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-6350748495 [0,1,0,0,0,1|1,0,1]=4 2143 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O MCULE-1345660635 [0,1,0,0,0,1|1,0,1]=4 2144 B9R0.53 C=C(C)CC(C)OC(=O)C MCULE-1562545021 [0,1,0,0,0,1|2,0,0]=4 2145 B9R0.53 CC(=CC(=O)O)CC(=O)O MCULE-8165055939 [0,1,0,0,0,1|1,0,1]=4 2146 B9R0.53 CC(=O)CC(=O)NC(=O)C MCULE-5043942110 [0,1,0,0,0,1|1,0,1]=4 2147 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,1,0,0,0,1|0,0,0]=2 2148 B9R0.53 CC(=O)OC(C)OC(=O)C MCULE-7151313728 [0,1,0,0,0,1|2,0,0]=4 2149 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,1,0,0,0,1|1,0,1]=4 2150 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,1,0,0,0,1|1,0,1]=4 2151 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,1,0,0,0,1|1,0,1]=4 2152 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,1,0,0,0,1|1,0,1]=4 2153 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,1,0,0,0,1|1,0,1]=4 2154 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,1,0,0,0,1|1,0,1]=4 2155 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,1,0,0,0,1|1,0,1]=4 2156 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,1,0,0,0,1|1,0,1]=4 2157 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,1,0,0,0,1|1,0,1]=4 2158 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,1,0,0,0,1|1,0,1]=4 2159 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,1,0,0,0,1|1,0,1]=4 2160 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,1,0,0,0,1|1,0,1]=4 2161 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,1,0,0,0,1|1,0,1]=4 2162 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [0,1,0,0,0,1|2,0,0]=4 2163 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,1,0,0,0,1|1,0,0]=3 2164 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,1,0,0,0,1|1,0,0]=3 2165 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [0,1,0,0,0,1|2,0,0]=4 2166 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,1,0,0,0,1|1,0,0]=3 2167 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,1,0,0,0,1|1,0,0]=3 2168 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,1,0,0,0,1|1,0,0]=3 2169 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,1,0,0,0,1|1,0,0]=3 2170 B9R0.53 NN(CC(=O)O)CC(=O)O MCULE-6707699178 [0,1,0,0,0,1|1,0,0]=3 2171 B9R0.53 O=C(O)C=C(Cl)CC(=O)O MCULE-4643738898 [0,1,0,0,0,1|1,0,1]=4 2172 B9R0.53 O=C(O)CC(=O)CC(=O)O MCULE-7760127170 [0,1,0,0,0,1|1,0,0]=3 2173 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,1,0,0,0,1|1,0,0]=3 2174 B9R0.53 O=C(O)CS(=O)CC(=O)O MCULE-8117628584 [0,1,0,0,0,1|1,0,0]=3 2175 B9R0.56 CC(=N)OCCS(=O)(=O)O MCULE-2405838300 [0,1,0,0,0,1|2,0,0]=4 2176 B9R0.56 CC(=O)NCCS(=O)(=O)N MCULE-7071799992 [0,1,0,0,0,1|1,0,1]=4 2177 B9R0.56 CC(=O)NCCS(=O)(=O)O MCULE-4053951959 [0,1,0,0,0,1|1,0,0]=3 2178 B9R0.56 CC(=O)OCCS(=O)(=O)Cl MCULE-8522441566 [0,1,0,0,0,1|1,0,1]=4 2179 B9R0.56 CC(=O)SCCS(=O)(=O)O MCULE-4519705338 [0,1,0,0,0,1|1,0,0]=3 2180 B9R0.56 CC(=O)SCCS(=O)(=O)[O-] MCULE-9143616669 [0,1,0,0,0,1|1,0,1]=4 2181 B9R0.56 CC(C)(C)CCCC(=O)O MCULE-2659832762 [0,1,0,0,0,1|1,0,1]=4 2182 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-1268208354 [0,1,0,0,0,1|1,0,1]=4 2183 B9R0.56 CC(C)(C)CNCC(=O)O MCULE-5430860345 [0,1,0,0,0,1|1,0,1]=4 2184 B9R0.56 CC(C)(C)OCCC(=O)O MCULE-2627981612 [0,1,0,0,0,1|1,0,1]=4 2185 B9R0.56 CC(C)(C)SCCC(=O)O MCULE-3380271202 [0,1,0,0,0,1|1,0,1]=4 2186 B9R0.56 CC(C)(N)COCC(=O)O MCULE-6736911202 [0,1,0,0,0,1|1,0,1]=4 2187 B9R0.56 CS(=O)(=O)CCCC(=O)O MCULE-2515518184 [0,1,0,0,0,1|1,0,0]=3 2188 B9R0.56 CS(=O)(=O)CCOC(=O)Cl MCULE-7479796506 [0,1,0,0,0,1|2,0,0]=4 2189 B9R0.56 CS(=O)(=O)NCCC(=O)O MCULE-7823027792 [0,1,0,0,0,1|1,0,0]=3 2190 B9R0.56 CS(=O)(=O)SCCC(=O)N MCULE-9213338856 [0,1,0,0,0,1|2,0,0]=4 2191 B9R0.56 C[N+](C)(C)CCCC(=O)O MCULE-2639547018 [0,1,0,0,0,1|2,0,0]=4 2192 B9R0.56 C[Si](C)(C)CCCC(=O)O MCULE-6750746548 [0,1,0,0,0,1|1,1,0]=4 2193 B9R0.56 NC(=O)NCCS(=O)(=O)O MCULE-6567400181 [0,1,0,0,0,1|2,0,0]=4 2194 B9R0.56 NS(=O)(=O)CCCC(=O)O MCULE-8548216682 [0,1,0,0,0,1|2,0,0]=4 2195 B9R0.56 NS(=O)(=O)NCCC(=O)O MCULE-7564527970 [0,1,0,0,0,1|2,0,0]=4 2196 B9R0.56 O=C(O)CCCP(=O)(O)O MCULE-9510971866 [0,1,0,0,0,1|2,0,0]=4 2197 B9R0.56 O=C(O)CNCP(=O)(O)O MCULE-3308266821 [0,1,0,0,0,1|2,0,0]=4 2198 B9R0.56 O=C([O-])CNCP(=O)(O)O MCULE-8648426476 [0,1,0,0,0,1|2,0,0]=4 2199 B9R0.21 COC(=O)CCC(C)(C)N MCULE-2568828362 [0,2,0,0,0,0|1,0,1]=4 2200 B9R0.21 COC(=O)CCC(C)(C)N MCULE-9852599721 [0,2,0,0,0,0|1,0,1]=4 2201 B9R0.21 COC(=O)CCS(=O)(=O)C MCULE-4450384265 [0,2,0,0,0,0|1,0,0]=3 2202 B9R0.21 COC(=O)CCS(=O)(=O)Cl MCULE-9750988258 [0,2,0,0,0,0|1,0,1]=4 2203 B9R0.21 COC(=O)CCS(=O)(=O)F MCULE-9045673816 [0,2,0,0,0,0|1,0,1]=4 2204 B9R0.21 COC(=O)CCS(=O)(=O)N MCULE-6764009838 [0,2,0,0,0,0|1,0,1]=4 2205 B9R0.21 COC(=O)CC[Si](C)(Cl)Cl MCULE-5487918079 [0,2,0,0,0,0|1,1,0]=4 2206 B9R0.21 CS(=O)(=O)CCC(=O)CCl MCULE-9373484533 [0,2,0,0,0,0|1,0,1]=4 2207 B9R0.21 O=C(CO)COP(=O)(O)O MCULE-3352535301 [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.23 C(N)(CC(=O)O)C(=O)OC MCULE-3786901582 [0,2,0,0,0,0|0,0,0]=2 2209 B9R0.23 C=C(C)CC(N)C(=O)OC MCULE-2770411625 [0,2,0,0,0,0|1,0,0]=3 2210 B9R0.23 C=C(CC(=O)O)C(=O)OC MCULE-6964816559 [0,2,0,0,0,0|0,0,1]=3 2211 B9R0.23 C=C(NC(=O)C)C(=O)OC MCULE-8995388871 [0,2,0,0,0,0|1,0,1]=4 2212 B9R0.23 C=CC(=O)N(C)CC(=O)O MCULE-9771391783 [0,2,0,0,0,0|1,0,1]=4 2213 B9R0.23 CCC(=O)N(C)CC(=O)O MCULE-1259899510 [0,2,0,0,0,0|1,0,0]=3 2214 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,2,0,0,0,0|1,0,1]=4 2215 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,2,0,0,0,0|1,0,1]=4 2216 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-8864839000 [0,2,0,0,0,0|2,0,0]=4 2217 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-9691138087 [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,2,0,0,0,0|1,0,1]=4 2219 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,2,0,0,0,0|1,0,1]=4 2220 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,2,0,0,0,0|1,0,1]=4 2221 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,2,0,0,0,0|1,0,1]=4 2222 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,2,0,0,0,0|1,0,1]=4 2223 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,2,0,0,0,0|1,0,1]=4 2224 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,2,0,0,0,0|1,0,1]=4 2225 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,2,0,0,0,0|1,0,1]=4 2226 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,2,0,0,0,0|1,0,1]=4 2227 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,2,0,0,0,0|1,0,1]=4 2228 B9R0.23 CN(CC(=O)O)C(=O)CCl MCULE-5510442150 [0,2,0,0,0,0|1,0,0]=3 2229 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,2,0,0,0,0|1,0,0]=3 2230 B9R0.23 CNC(=O)C(C)NC(=O)C MCULE-9465926492 [0,2,0,0,0,0|2,0,0]=4 2231 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-5078086866 [0,2,0,0,0,0|2,0,0]=4 2232 B9R0.23 CNC(=O)[C@H](C)NC(=O)C MCULE-8878746603 [0,2,0,0,0,0|2,0,0]=4 2233 B9R0.23 COC(=O)/C(=C/C(=O)O)/Br MCULE-9236300450 [0,2,0,0,0,0|0,0,2]=4 2234 B9R0.23 COC(=O)C(=CC(=O)C)O MCULE-4086335030 [0,2,0,0,0,0|0,0,2]=4 2235 B9R0.23 COC(=O)C(=CC(=O)C)[O-] MCULE-6893575885 [0,2,0,0,0,0|0,0,2]=4 2236 B9R0.23 COC(=O)C(=CC(=O)O)Br MCULE-7067392588 [0,2,0,0,0,0|0,0,2]=4 2237 B9R0.23 COC(=O)C(=O)CC(=O)C MCULE-8074026108 [0,2,0,0,0,0|0,0,1]=3 2238 B9R0.23 COC(=O)C(Br)CC(C)C MCULE-4002467069 [0,2,0,0,0,0|1,0,1]=4 2239 B9R0.23 COC(=O)C(Br)CN(C)C MCULE-2277934398 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.23 COC(=O)C(Br)CN(C)C MCULE-4302240622 [0,2,0,0,0,0|2,0,0]=4 2241 B9R0.23 COC(=O)C(C)CC(=O)C MCULE-2131243248 [0,2,0,0,0,0|0,0,0]=2 2242 B9R0.23 COC(=O)C(C)CC(=O)O MCULE-5268313344 [0,2,0,0,0,0|0,0,0]=2 2243 B9R0.23 COC(=O)C(C)CN(C)C MCULE-4020751739 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.23 COC(=O)C(C)CS(=O)[O-] MCULE-6308173188 [0,2,0,0,0,0|1,0,1]=4 2245 B9R0.23 COC(=O)C(C)CS(=O)[O-] MCULE-6522031658 [0,2,0,0,0,0|1,0,1]=4 2246 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-7499205437 [0,2,0,0,0,0|1,0,0]=3 2247 B9R0.23 COC(=O)C(C)NC(=O)C MCULE-9931125485 [0,2,0,0,0,0|1,0,0]=3 2248 B9R0.23 COC(=O)C(C)OC(=O)C MCULE-7908136641 [0,2,0,0,0,0|1,0,0]=3 2249 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-1752536252 [0,2,0,0,0,0|1,0,0]=3 2250 B9R0.23 COC(=O)C(N)CC(=O)N MCULE-5054924778 [0,2,0,0,0,0|1,0,0]=3 2251 B9R0.23 COC(=O)C(N)CC(=O)O MCULE-7519781259 [0,2,0,0,0,0|0,0,0]=2 2252 B9R0.23 COC(=O)C(N)CC(C)C MCULE-1433046496 [0,2,0,0,0,0|1,0,1]=4 2253 B9R0.23 COC(=O)C(N)CC(C)C MCULE-1553759943 [0,2,0,0,0,0|1,0,1]=4 2254 B9R0.23 COC(=O)C(N)CC(C)C MCULE-4557025081 [0,2,0,0,0,0|1,0,1]=4 2255 B9R0.23 COC(=O)C(N)CC(C)C MCULE-8510501543 [0,2,0,0,0,0|1,0,1]=4 2256 B9R0.23 COC(=O)C(N)CN(C)C MCULE-3941198962 [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.23 COC(=O)C(N)CN(C)C MCULE-4688594748 [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.23 COC(=O)C(O)CC(C)C MCULE-6254974085 [0,2,0,0,0,0|1,0,1]=4 2259 B9R0.23 COC(=O)N(C)CC(=O)O MCULE-6066208018 [0,2,0,0,0,0|1,0,0]=3 2260 B9R0.23 COC(=O)[C@@H](C)CC(=O)O MCULE-8145746541 [0,2,0,0,0,0|0,0,0]=2 2261 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-3683972950 [0,2,0,0,0,0|1,0,0]=3 2262 B9R0.23 COC(=O)[C@@H](C)NC(=O)C MCULE-9078107491 [0,2,0,0,0,0|1,0,0]=3 2263 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-2903193624 [0,2,0,0,0,0|1,0,0]=3 2264 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3686406545 [0,2,0,0,0,0|1,0,0]=3 2265 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-3726434187 [0,2,0,0,0,0|1,0,0]=3 2266 B9R0.23 COC(=O)[C@@H](N)CC(=O)N MCULE-9719605200 [0,2,0,0,0,0|1,0,0]=3 2267 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-2094999701 [0,2,0,0,0,0|0,0,0]=2 2268 B9R0.23 COC(=O)[C@@H](N)CC(=O)O MCULE-9407721038 [0,2,0,0,0,0|0,0,0]=2 2269 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-1309132346 [0,2,0,0,0,0|1,0,1]=4 2270 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-6938469474 [0,2,0,0,0,0|1,0,1]=4 2271 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-7583568111 [0,2,0,0,0,0|1,0,1]=4 2272 B9R0.23 COC(=O)[C@@H](N)CC(C)C MCULE-7793954010 [0,2,0,0,0,0|1,0,1]=4 2273 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4149383309 [0,2,0,0,0,0|0,0,0]=2 2274 B9R0.23 COC(=O)[C@@H](O)CC(=O)O MCULE-4834047702 [0,2,0,0,0,0|0,0,0]=2 2275 B9R0.23 COC(=O)[C@H](C)CC(C)C MCULE-7968770763 [0,2,0,0,0,0|1,0,1]=4 2276 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9272877417 [0,2,0,0,0,0|1,0,0]=3 2277 B9R0.23 COC(=O)[C@H](C)NC(=O)C MCULE-9675191541 [0,2,0,0,0,0|1,0,0]=3 2278 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-7231856462 [0,2,0,0,0,0|1,0,0]=3 2279 B9R0.23 COC(=O)[C@H](C)OC(=O)C MCULE-9967813219 [0,2,0,0,0,0|1,0,0]=3 2280 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3007207072 [0,2,0,0,0,0|1,0,0]=3 2281 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-3103219361 [0,2,0,0,0,0|1,0,0]=3 2282 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-6097450650 [0,2,0,0,0,0|1,0,0]=3 2283 B9R0.23 COC(=O)[C@H](N)CC(=O)N MCULE-7427879831 [0,2,0,0,0,0|1,0,0]=3 2284 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-1453787543 [0,2,0,0,0,0|0,0,0]=2 2285 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8348108837 [0,2,0,0,0,0|0,0,0]=2 2286 B9R0.23 COC(=O)[C@H](N)CC(=O)O MCULE-8725707708 [0,2,0,0,0,0|0,0,0]=2 2287 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-2152247835 [0,2,0,0,0,0|1,0,1]=4 2288 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-2779062182 [0,2,0,0,0,0|1,0,1]=4 2289 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-7100635788 [0,2,0,0,0,0|1,0,1]=4 2290 B9R0.23 COC(=O)[C@H](N)CC(C)C MCULE-8729140960 [0,2,0,0,0,0|1,0,1]=4 2291 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-2124989741 [0,2,0,0,0,0|0,0,0]=2 2292 B9R0.23 COC(=O)[C@H](O)CC(=O)O MCULE-9803650256 [0,2,0,0,0,0|0,0,0]=2 2293 B9R0.23 COC(=O)[C@H](O)CC(C)C MCULE-1436998757 [0,2,0,0,0,0|1,0,1]=4 2294 B9R0.23 COC(=O)[C@H](O)CC(C)C MCULE-7030340707 [0,2,0,0,0,0|1,0,1]=4 2295 B9R0.23 CSC(=S)N(C)CC(=O)O MCULE-5618305057 [0,2,0,0,0,0|1,1,0]=4 2296 B9R0.23 O=C(O)CC(Br)C(=O)CBr MCULE-5319460867 [0,2,0,0,0,0|0,0,0]=2 2297 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,2,0,0,0,0|0,0,2]=4 2298 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,2,0,0,0,0|0,0,2]=4 2299 B9R0.23 [C@H](N)(CC(=O)O)C(=O)OC MCULE-3013306674 [0,2,0,0,0,0|0,0,0]=2 2300 B9R0.24 C(=C\C(=O)OC)\C(=O)OC MCULE-9787020384 [0,2,0,0,0,0|0,0,2]=4 2301 B9R0.24 CC(=NO)CCC(=NO)C MCULE-6922851894 [0,2,0,0,0,0|1,0,1]=4 2302 B9R0.24 CCC(=O)CCC(=O)CC MCULE-8095896851 [0,2,0,0,0,0|1,0,0]=3 2303 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [0,2,0,0,0,0|0,0,0]=2 2304 B9R0.24 CCC(=O)CNC(=O)CCl MCULE-4773484203 [0,2,0,0,0,0|2,0,0]=4 2305 B9R0.24 CCC(=O)NCC(=O)NN MCULE-8497711073 [0,2,0,0,0,0|2,0,0]=4 2306 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [0,2,0,0,0,0|1,0,1]=4 2307 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [0,2,0,0,0,0|1,0,1]=4 2308 B9R0.24 CNC(=O)CCC(=O)NC MCULE-1963512948 [0,2,0,0,0,0|1,0,0]=3 2309 B9R0.24 CNC(=O)CNC(=O)CN MCULE-6194044808 [0,2,0,0,0,0|2,0,0]=4 2310 B9R0.24 CNC(=O)CNC(=O)NN MCULE-2152556548 [0,2,0,0,0,0|2,0,0]=4 2311 B9R0.24 CNC(=O)CNC(=O)NN MCULE-8948193707 [0,2,0,0,0,0|2,0,0]=4 2312 B9R0.24 CNC(=O)NNC(=O)CO MCULE-2379159340 [0,2,0,0,0,0|2,0,0]=4 2313 B9R0.24 COC(=O)/C=C/C(=O)OC MCULE-4208733984 [0,2,0,0,0,0|0,0,2]=4 2314 B9R0.24 COC(=O)/N=N/C(=O)OC MCULE-3672642911 [0,2,0,0,0,0|2,0,0]=4 2315 B9R0.24 COC(=O)C#CC(=O)OC MCULE-2522916991 [0,2,0,0,0,0|0,0,2]=4 2316 B9R0.24 COC(=O)C=CC(=O)OC MCULE-8277820773 [0,2,0,0,0,0|0,0,2]=4 2317 B9R0.24 COC(=O)CCC(=O)CBr MCULE-7044639446 [0,2,0,0,0,0|0,0,0]=2 2318 B9R0.24 COC(=O)CCC(=O)CCl MCULE-4430497907 [0,2,0,0,0,0|0,0,0]=2 2319 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,2,0,0,0,0|0,0,0]=2 2320 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,2,0,0,0,0|0,0,0]=2 2321 B9R0.24 COC(=O)CCC(=O)OC MCULE-1133524094 [0,2,0,0,0,0|0,0,0]=2 2322 B9R0.24 COC(=O)CCS(=O)OC MCULE-1471943569 [0,2,0,0,0,0|1,0,0]=3 2323 B9R0.24 COC(=O)CNC(=O)CCl MCULE-6457273538 [0,2,0,0,0,0|1,0,0]=3 2324 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,2,0,0,0,0|1,0,0]=3 2325 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,2,0,0,0,0|1,0,0]=3 2326 B9R0.24 COC(=O)CNC(=O)OC MCULE-1305795476 [0,2,0,0,0,0|1,0,0]=3 2327 B9R0.24 COC(=O)N=NC(=O)OC MCULE-9355928501 [0,2,0,0,0,0|2,0,0]=4 2328 B9R0.24 COC(=O)NNC(=O)OC MCULE-3681044847 [0,2,0,0,0,0|2,0,0]=4 2329 B9R0.24 NNC(=O)CCC(=O)NN MCULE-8748988406 [0,2,0,0,0,0|2,0,0]=4 2330 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,2,0,0,0,0|0,0,0]=2 2331 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [0,2,0,0,0,0|0,0,1]=3 2332 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,2,0,0,0,0|0,0,1]=3 2333 B9R0.42 C=C(NC(=O)CCl)C(=O)O MCULE-5735536490 [0,2,0,0,0,0|1,0,1]=4 2334 B9R0.42 C=C(NC(=O)CN)C(=O)O MCULE-8924892837 [0,2,0,0,0,0|1,0,1]=4 2335 B9R0.42 C=CC(=O)NC(O)C(=O)O MCULE-6399920412 [0,2,0,0,0,0|1,0,1]=4 2336 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,2,0,0,0,0|0,0,2]=4 2337 B9R0.42 CC(NC(=O)CCl)C(=O)O MCULE-6899086052 [0,2,0,0,0,0|1,0,0]=3 2338 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-2418100977 [0,2,0,0,0,0|2,0,0]=4 2339 B9R0.42 CC(NC(=O)CN)C(=O)N MCULE-5562877537 [0,2,0,0,0,0|2,0,0]=4 2340 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,2,0,0,0,0|1,0,0]=3 2341 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,2,0,0,0,0|0,0,0]=2 2342 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,2,0,0,0,0|0,0,0]=2 2343 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [0,2,0,0,0,0|1,0,0]=3 2344 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [0,2,0,0,0,0|1,0,0]=3 2345 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,2,0,0,0,0|1,0,1]=4 2346 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,2,0,0,0,0|1,0,1]=4 2347 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,2,0,0,0,0|1,0,1]=4 2348 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,2,0,0,0,0|2,0,0]=4 2349 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,2,0,0,0,0|2,0,0]=4 2350 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,2,0,0,0,0|0,0,0]=2 2351 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,2,0,0,0,0|0,0,0]=2 2352 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,2,0,0,0,0|0,0,0]=2 2353 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,2,0,0,0,0|0,0,0]=2 2354 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,2,0,0,0,0|0,0,0]=2 2355 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,2,0,0,0,0|0,0,0]=2 2356 B9R0.42 COC(=O)CC(=O)C(=O)O MCULE-5008305161 [0,2,0,0,0,0|0,0,1]=3 2357 B9R0.42 COC(=O)CC(Br)C(=O)C MCULE-7344095898 [0,2,0,0,0,0|0,0,0]=2 2358 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-5595331018 [0,2,0,0,0,0|0,0,0]=2 2359 B9R0.42 COC(=O)CC(C)C(=O)O MCULE-9262719853 [0,2,0,0,0,0|0,0,0]=2 2360 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,2,0,0,0,0|0,0,0]=2 2361 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,2,0,0,0,0|0,0,0]=2 2362 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,2,0,0,0,0|0,0,0]=2 2363 B9R0.42 COC(=O)CC(N)C(C)C MCULE-4687021873 [0,2,0,0,0,0|1,0,1]=4 2364 B9R0.42 COC(=O)CC(N)C(C)C MCULE-5881192435 [0,2,0,0,0,0|1,0,1]=4 2365 B9R0.42 COC(=O)CC(O)C(=O)O MCULE-7105554854 [0,2,0,0,0,0|0,0,0]=2 2366 B9R0.42 COC(=O)CC(O)C(C)C MCULE-7794394603 [0,2,0,0,0,0|1,0,1]=4 2367 B9R0.42 COC(=O)CN(C)C(=O)Cl MCULE-2845541726 [0,2,0,0,0,0|2,0,0]=4 2368 B9R0.42 COC(=O)C[C@@H](C)C(=O)Cl MCULE-7326666072 [0,2,0,0,0,0|1,0,0]=3 2369 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-4861767896 [0,2,0,0,0,0|0,0,0]=2 2370 B9R0.42 COC(=O)C[C@@H](C)C(=O)O MCULE-6107558545 [0,2,0,0,0,0|0,0,0]=2 2371 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,2,0,0,0,0|0,0,0]=2 2372 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,2,0,0,0,0|0,0,0]=2 2373 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,2,0,0,0,0|0,0,0]=2 2374 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,2,0,0,0,0|0,0,0]=2 2375 B9R0.42 COC(=O)C[C@@H](N)C(C)C MCULE-1882017857 [0,2,0,0,0,0|1,0,1]=4 2376 B9R0.42 COC(=O)C[C@@H](N)C(C)C MCULE-6118582349 [0,2,0,0,0,0|1,0,1]=4 2377 B9R0.42 COC(=O)C[C@@H](N)C(C)C MCULE-8893364344 [0,2,0,0,0,0|1,0,1]=4 2378 B9R0.42 COC(=O)C[C@@H](N)C(C)C MCULE-8898462968 [0,2,0,0,0,0|1,0,1]=4 2379 B9R0.42 COC(=O)C[C@@H](O)C(=O)O MCULE-8916007864 [0,2,0,0,0,0|0,0,0]=2 2380 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-1205037322 [0,2,0,0,0,0|0,0,0]=2 2381 B9R0.42 COC(=O)C[C@H](C)C(=O)O MCULE-7536209773 [0,2,0,0,0,0|0,0,0]=2 2382 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,2,0,0,0,0|0,0,0]=2 2383 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,2,0,0,0,0|0,0,0]=2 2384 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,2,0,0,0,0|0,0,0]=2 2385 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,2,0,0,0,0|0,0,0]=2 2386 B9R0.42 COC(=O)C[C@H](N)C(C)C MCULE-1217251393 [0,2,0,0,0,0|1,0,1]=4 2387 B9R0.42 COC(=O)C[C@H](N)C(C)C MCULE-6304676369 [0,2,0,0,0,0|1,0,1]=4 2388 B9R0.42 COC(=O)C[C@H](N)C(C)C MCULE-6792292051 [0,2,0,0,0,0|1,0,1]=4 2389 B9R0.42 COC(=O)C[C@H](N)C(C)C MCULE-7632733566 [0,2,0,0,0,0|1,0,1]=4 2390 B9R0.42 COC(=O)C[C@H](O)C(=O)O MCULE-9897810817 [0,2,0,0,0,0|0,0,0]=2 2391 B9R0.42 COC(=O)NC(C)C(=O)O MCULE-9255316794 [0,2,0,0,0,0|1,0,0]=3 2392 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-3970003504 [0,2,0,0,0,0|1,0,0]=3 2393 B9R0.42 COC(=O)N[C@@H](C)C(=O)O MCULE-7941497211 [0,2,0,0,0,0|1,0,0]=3 2394 B9R0.42 C[C@H](NC(=O)CBr)C(=O)O MCULE-2038149065 [0,2,0,0,0,0|1,0,0]=3 2395 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-3478867157 [0,2,0,0,0,0|1,0,0]=3 2396 B9R0.42 C[C@H](NC(=O)CCl)C(=O)O MCULE-8272505742 [0,2,0,0,0,0|1,0,0]=3 2397 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-1477107832 [0,2,0,0,0,0|2,0,0]=4 2398 B9R0.42 C[C@H](NC(=O)CN)C(=O)N MCULE-7070402577 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,2,0,0,0,0|1,0,0]=3 2400 B9R0.42 NC(CN(O)N=O)C(=O)O MCULE-5880257959 [0,2,0,0,0,0|2,0,0]=4 2401 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,2,0,0,0,0|0,0,0]=2 2402 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,2,0,0,0,0|0,0,0]=2 2403 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O MCULE-2694436901 [0,2,0,0,0,0|1,0,0]=3 2404 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O MCULE-5513289219 [0,2,0,0,0,0|2,0,0]=4 2405 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,2,0,0,0,0|1,0,0]=3 2406 B9R0.42 [C@H](N)(CN(O)N=O)C(=O)O MCULE-4128156769 [0,2,0,0,0,0|2,0,0]=4 2407 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [0,2,0,0,0,0|1,0,1]=4 2408 B9R0.43 CCC(CO)CCC(=O)C MCULE-7352596779 [0,2,0,0,0,0|1,0,1]=4 2409 B9R0.43 CCN(CC)CCC(=O)O MCULE-3198217857 [0,2,0,0,0,0|2,0,0]=4 2410 B9R0.43 CCN(CC)CCC(=O)O MCULE-7749215074 [0,2,0,0,0,0|2,0,0]=4 2411 B9R0.48 C=C(C)CCC(=O)OCC MCULE-1518145690 [0,2,0,0,0,0|1,0,0]=3 2412 B9R0.48 CC=CC(=O)NCC(=O)O MCULE-3127874630 [0,2,0,0,0,0|1,0,0]=3 2413 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [0,2,0,0,0,0|1,0,0]=3 2414 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,2,0,0,0,0|0,0,0]=2 2415 B9R0.48 CCCC(=O)NCC(=O)N MCULE-4903049688 [0,2,0,0,0,0|2,0,0]=4 2416 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [0,2,0,0,0,0|1,0,0]=3 2417 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,2,0,0,0,0|1,0,1]=4 2418 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,2,0,0,0,0|1,0,1]=4 2419 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,2,0,0,0,0|1,0,1]=4 2420 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,2,0,0,0,0|2,0,0]=4 2421 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,2,0,0,0,0|2,0,0]=4 2422 B9R0.48 CCNC(=O)C=CC(=O)O MCULE-3469131343 [0,2,0,0,0,0|0,0,2]=4 2423 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,2,0,0,0,0|0,0,0]=2 2424 B9R0.48 CCNC(=S)NCC(=O)O MCULE-3996581742 [0,2,0,0,0,0|1,1,0]=4 2425 B9R0.48 CCOC(=O)/C=C/C(=O)C MCULE-1277426448 [0,2,0,0,0,0|0,0,2]=4 2426 B9R0.48 CCOC(=O)/C=C/C(=O)O MCULE-2354207944 [0,2,0,0,0,0|0,0,2]=4 2427 B9R0.48 CCOC(=O)/C=C\C(=O)O MCULE-9139116808 [0,2,0,0,0,0|0,0,2]=4 2428 B9R0.48 CCOC(=O)C=CC(=O)C MCULE-7029387078 [0,2,0,0,0,0|0,0,2]=4 2429 B9R0.48 CCOC(=O)C=CC(=O)O MCULE-7475947730 [0,2,0,0,0,0|0,0,2]=4 2430 B9R0.48 CCOC(=O)CCC(=N)N MCULE-2941069504 [0,2,0,0,0,0|2,0,0]=4 2431 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [0,2,0,0,0,0|0,0,0]=2 2432 B9R0.48 CCOC(=O)CCC(=O)Cl MCULE-6113832364 [0,2,0,0,0,0|1,0,0]=3 2433 B9R0.48 CCOC(=O)CCC(=O)N MCULE-4243878001 [0,2,0,0,0,0|1,0,0]=3 2434 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,2,0,0,0,0|0,0,0]=2 2435 B9R0.48 CCOC(=O)CCC(C)Br MCULE-4073335261 [0,2,0,0,0,0|1,0,1]=4 2436 B9R0.48 CCOC(=O)CCC(C)C MCULE-1386486394 [0,2,0,0,0,0|1,0,1]=4 2437 B9R0.48 CCOC(=O)CCC(C)Cl MCULE-8909380760 [0,2,0,0,0,0|1,0,1]=4 2438 B9R0.48 CCOC(=O)CCC(C)N MCULE-5773909999 [0,2,0,0,0,0|1,0,1]=4 2439 B9R0.48 CCOC(=O)CCC(C)N MCULE-5870649436 [0,2,0,0,0,0|1,0,1]=4 2440 B9R0.48 CCOC(=O)CCN(=O)=O MCULE-9024039721 [0,2,0,0,0,0|1,0,1]=4 2441 B9R0.48 CCOC(=O)CCN(C)C MCULE-6461752502 [0,2,0,0,0,0|2,0,0]=4 2442 B9R0.48 CCOC(=O)CNC(=O)C MCULE-3012556062 [0,2,0,0,0,0|1,0,0]=3 2443 B9R0.48 CCOC(=O)CNC(=O)N MCULE-5545074396 [0,2,0,0,0,0|2,0,0]=4 2444 B9R0.48 CCOC(=O)COC(=O)C MCULE-1796111350 [0,2,0,0,0,0|1,0,0]=3 2445 B9R0.48 CCOC(=O)NCC(=O)O MCULE-6050328577 [0,2,0,0,0,0|1,0,0]=3 2446 B9R0.48 CCOC(=S)SCC(=O)O MCULE-8546838454 [0,2,0,0,0,0|1,1,0]=4 2447 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [0,2,0,0,0,0|1,0,1]=4 2448 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [0,2,0,0,0,0|1,0,0]=3 2449 B9R0.48 N#C/C=C(\N)/CCC(=O)O MCULE-9325480359 [0,2,0,0,0,0|1,0,1]=4 2450 B9R0.48 N#CCC(=O)CCC(=O)O MCULE-9068617053 [0,2,0,0,0,0|0,0,0]=2 2451 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,2,0,0,0,0|1,0,0]=3 2452 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,2,0,0,0,0|1,0,0]=3 2453 B9R0.64 CC(C)(C#N)CCC(=O)O MCULE-9778482265 [0,2,0,0,0,0|1,0,1]=4 2454 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [0,2,0,0,0,0|1,0,0]=3 2455 B9R0.64 CCS(=O)(=O)NCC(=O)O MCULE-6269745813 [0,2,0,0,0,0|2,0,0]=4 2456 B9R0.64 CNS(=O)(=O)CCC(=O)O MCULE-4872511761 [0,2,0,0,0,0|1,0,0]=3 2457 B9R0.64 CNS(=O)(=O)NCC(=O)O MCULE-3765913828 [0,2,0,0,0,0|2,0,0]=4 2458 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [0,2,0,0,0,0|1,0,0]=3 2459 B9R0.10 CC(C)(C)C(N)CC(=O)O MCULE-6654125396 [0,2,0,0,0,0|1,0,1]=4 2460 B9R0.10 CC(C)(C)C(N)CC(=O)O MCULE-6842051841 [0,2,0,0,0,0|1,0,1]=4 2461 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O MCULE-5408253054 [0,2,0,0,0,0|1,0,1]=4 2462 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O MCULE-6704022659 [0,2,0,0,0,0|1,0,1]=4 2463 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O MCULE-4579899518 [0,2,0,0,0,0|1,0,1]=4 2464 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O MCULE-4645205176 [0,2,0,0,0,0|1,0,1]=4 2465 B9R0.10 CC(CC(=O)O)C(C)(C)C MCULE-4114895909 [0,2,0,0,0,0|1,0,1]=4 2466 B9R0.10 CC(CC(=O)O)C(C)(C)N MCULE-4308904314 [0,2,0,0,0,0|1,0,1]=4 2467 B9R0.10 CC(CC(=O)O)C(C)(C)N MCULE-6683372980 [0,2,0,0,0,0|1,0,1]=4 2468 B9R0.10 CC(CC(=O)O)C(C)(C)O MCULE-5216715591 [0,2,0,0,0,0|0,0,2]=4 2469 B9R0.10 CN(CC(=O)O)S(=O)(=O)C MCULE-6401759445 [0,2,0,0,0,0|2,0,0]=4 2470 B9R0.10 [C@@H](N)(CC(=O)O)C(C)(C)C MCULE-5327849230 [0,2,0,0,0,0|1,0,1]=4 2471 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [0,2,0,0,0,0|1,0,0]=3 2472 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [0,2,0,0,0,0|1,0,0]=3 2473 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [0,2,0,0,0,0|1,0,0]=3 2474 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,2,0,0,0,0|0,0,0]=2 2475 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,2,0,0,0,0|0,0,0]=2 2476 B9R0.11 CC(=O)CC(C)(C)P(=O)[O-] MCULE-1930115331 [0,2,0,0,0,0|1,0,1]=4 2477 B9R0.11 CC(=O)CC(C)(C)P(=O)[O-] MCULE-9399996515 [0,2,0,0,0,0|1,0,1]=4 2478 B9R0.11 CC(=O)NC(C)(C)C(=O)O MCULE-7910205661 [0,2,0,0,0,0|1,0,0]=3 2479 B9R0.11 CC(=O)OC(C)(C)C(=O)Br MCULE-1873853072 [0,2,0,0,0,0|2,0,0]=4 2480 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl MCULE-8604882443 [0,2,0,0,0,0|2,0,0]=4 2481 B9R0.11 CC(=O)OC(C)(C)C(=O)O MCULE-7786541244 [0,2,0,0,0,0|1,0,0]=3 2482 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,2,0,0,0,0|1,0,0]=3 2483 B9R0.11 CC(C)(NC(=O)N)C(=O)O MCULE-3780805662 [0,2,0,0,0,0|2,0,0]=4 2484 B9R0.11 CC(C)CC(C)(C)C(=O)O MCULE-1527618443 [0,2,0,0,0,0|1,0,1]=4 2485 B9R0.11 CC(C)CC(C)(F)C(=O)O MCULE-9239880064 [0,2,0,0,0,0|1,0,1]=4 2486 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-4257632982 [0,2,0,0,0,0|1,0,1]=4 2487 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-6991659149 [0,2,0,0,0,0|1,0,1]=4 2488 B9R0.11 CC(C)CC(C)(O)C(=O)O MCULE-6600862818 [0,2,0,0,0,0|1,0,1]=4 2489 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-4712290479 [0,2,0,0,0,0|1,0,1]=4 2490 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-9085844136 [0,2,0,0,0,0|1,0,1]=4 2491 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-6073129801 [0,2,0,0,0,0|1,0,1]=4 2492 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-7162987343 [0,2,0,0,0,0|1,0,1]=4 2493 B9R0.11 CC(F)(NC(=O)N)C(=O)O MCULE-5893224532 [0,2,0,0,0,0|2,0,0]=4 2494 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,2,0,0,0,0|1,0,0]=3 2495 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,2,0,0,0,0|1,0,0]=3 2496 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,2,0,0,0,0|1,0,0]=3 2497 B9R0.11 CN(C)CC(C)(C)C(=O)O MCULE-1142687176 [0,2,0,0,0,0|2,0,0]=4 2498 B9R0.11 CN(C)CC(C)(C)C(=O)O MCULE-8506830964 [0,2,0,0,0,0|2,0,0]=4 2499 B9R0.11 CN(C)CC(C)(N)C(=O)O MCULE-4857565953 [0,2,0,0,0,0|2,0,0]=4 2500 B9R0.11 CN(C)CC(F)(F)C(=O)O MCULE-6957780548 [0,2,0,0,0,0|2,0,0]=4 2501 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,2,0,0,0,0|1,0,0]=3 2502 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,2,0,0,0,0|1,0,0]=3 2503 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,2,0,0,0,0|1,0,0]=3 2504 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,2,0,0,0,0|1,0,0]=3 2505 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,2,0,0,0,0|1,0,0]=3 2506 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,2,0,0,0,0|1,0,0]=3 2507 B9R0.11 O=C(O)CC(F)(F)C(=O)O MCULE-7706048377 [0,2,0,0,0,0|1,0,0]=3 2508 B9R0.11 O=C(O)CC(S)(S)C(=O)O MCULE-7344489814 [0,2,0,0,0,0|1,0,0]=3 2509 B9R0.39 CC(=O)NC(C#N)C(=O)N MCULE-7779090279 [0,2,0,0,0,0|2,0,0]=4 2510 B9R0.39 CC(=O)NC(CO)C(=O)O MCULE-1309560741 [0,2,0,0,0,0|1,0,0]=3 2511 B9R0.39 CC(=O)NC(CS)C(=O)N MCULE-2256527758 [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-6378320219 [0,2,0,0,0,0|1,0,0]=3 2513 B9R0.39 CC(=O)NC(CS)C(=O)O MCULE-8740981134 [0,2,0,0,0,0|1,0,0]=3 2514 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-1874809708 [0,2,0,0,0,0|1,0,0]=3 2515 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O MCULE-6388016375 [0,2,0,0,0,0|1,0,0]=3 2516 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-1208846063 [0,2,0,0,0,0|2,0,0]=4 2517 B9R0.39 CC(=O)N[C@@H](CS)C(=O)N MCULE-2389070545 [0,2,0,0,0,0|2,0,0]=4 2518 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-3293270590 [0,2,0,0,0,0|1,0,0]=3 2519 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O MCULE-8632971295 [0,2,0,0,0,0|1,0,0]=3 2520 B9R0.39 CC(=O)N[C@H](CO)C(=O)O MCULE-3723348697 [0,2,0,0,0,0|1,0,0]=3 2521 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-2338539483 [0,2,0,0,0,0|1,0,0]=3 2522 B9R0.39 CC(=O)N[C@H](CS)C(=O)O MCULE-7287452762 [0,2,0,0,0,0|1,0,0]=3 2523 B9R0.39 CC(C)CC(C#N)C(=O)O MCULE-2645522679 [0,2,0,0,0,0|1,0,1]=4 2524 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [0,2,0,0,0,0|1,0,1]=4 2525 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [0,2,0,0,0,0|1,0,1]=4 2526 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [0,2,0,0,0,0|1,0,1]=4 2527 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [0,2,0,0,0,0|1,0,1]=4 2528 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [0,2,0,0,0,0|1,0,1]=4 2529 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [0,2,0,0,0,0|1,0,1]=4 2530 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [0,2,0,0,0,0|1,0,1]=4 2531 B9R0.39 CC(C)C[C@@H](CO)C(=O)O MCULE-8614733501 [0,2,0,0,0,0|1,0,1]=4 2532 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [0,2,0,0,0,0|1,0,1]=4 2533 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [0,2,0,0,0,0|1,0,1]=4 2534 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [0,2,0,0,0,0|1,0,1]=4 2535 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [0,2,0,0,0,0|1,0,1]=4 2536 B9R0.39 CC(C)C[C@H](CO)C(=O)O MCULE-3078607450 [0,2,0,0,0,0|1,0,1]=4 2537 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,2,0,0,0,0|1,0,1]=4 2538 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl MCULE-4134104716 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,2,0,0,0,0|1,0,0]=3 2540 B9R0.39 CCC(CC(=O)O)C(C)C MCULE-3121416106 [0,2,0,0,0,0|1,0,1]=4 2541 B9R0.39 CCC(CC(C)C)C(=O)O MCULE-5215518236 [0,2,0,0,0,0|1,0,1]=4 2542 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-1309294109 [0,2,0,0,0,0|1,0,0]=3 2543 B9R0.39 CCC(NC(=O)C)C(=O)O MCULE-9698129539 [0,2,0,0,0,0|1,0,0]=3 2544 B9R0.39 CCC(NC(=O)N)C(=O)O MCULE-1973871135 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-4606830483 [0,2,0,0,0,0|1,0,0]=3 2546 B9R0.39 CC[C@@H](NC(=O)C)C(=O)O MCULE-7396715663 [0,2,0,0,0,0|1,0,0]=3 2547 B9R0.39 CC[C@H](CC(=O)O)C(C)C MCULE-7554516678 [0,2,0,0,0,0|1,0,1]=4 2548 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,2,0,0,0,0|1,0,0]=3 2549 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-4940999271 [0,2,0,0,0,0|1,0,1]=4 2550 B9R0.39 CNC(CC(C)C)C(=O)O MCULE-7266045564 [0,2,0,0,0,0|1,0,1]=4 2551 B9R0.39 CN[C@@H](CC(=O)N)C(=O)O MCULE-2449462396 [0,2,0,0,0,0|1,0,0]=3 2552 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,2,0,0,0,0|1,0,0]=3 2553 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,2,0,0,0,0|1,0,0]=3 2554 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,2,0,0,0,0|1,0,0]=3 2555 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-2758691344 [0,2,0,0,0,0|1,0,1]=4 2556 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-3349649810 [0,2,0,0,0,0|1,0,1]=4 2557 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-4487326533 [0,2,0,0,0,0|1,0,1]=4 2558 B9R0.39 CN[C@@H](CC(C)C)C(=O)O MCULE-7740057854 [0,2,0,0,0,0|1,0,1]=4 2559 B9R0.39 CN[C@H](CC(=O)N)C(=O)O MCULE-2092394249 [0,2,0,0,0,0|1,0,0]=3 2560 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,2,0,0,0,0|1,0,0]=3 2561 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,2,0,0,0,0|1,0,0]=3 2562 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,2,0,0,0,0|1,0,0]=3 2563 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2279011654 [0,2,0,0,0,0|1,0,1]=4 2564 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2290136385 [0,2,0,0,0,0|1,0,1]=4 2565 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-2552934491 [0,2,0,0,0,0|1,0,1]=4 2566 B9R0.39 CN[C@H](CC(C)C)C(=O)O MCULE-8319051174 [0,2,0,0,0,0|1,0,1]=4 2567 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,2,0,0,0,0|1,0,0]=3 2568 B9R0.39 COC(CC(C)C)C(=O)O MCULE-4497994493 [0,2,0,0,0,0|1,0,1]=4 2569 B9R0.39 NC(=O)NC(CO)C(=O)O MCULE-8322024012 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.39 NC(=O)NC(CS)C(=O)O MCULE-3558033323 [0,2,0,0,0,0|2,0,0]=4 2571 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O MCULE-9735857877 [0,2,0,0,0,0|2,0,0]=4 2572 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,2,0,0,0,0|1,0,0]=3 2573 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,2,0,0,0,0|1,0,0]=3 2574 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,2,0,0,0,0|2,0,0]=4 2575 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,2,0,0,0,0|1,0,0]=3 2576 B9R0.57 C=C(CS(=O)(=O)C)C(=O)O MCULE-8684596223 [0,2,0,0,0,0|1,0,1]=4 2577 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-1846409149 [0,2,0,0,0,0|1,0,1]=4 2578 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6496394437 [0,2,0,0,0,0|1,0,1]=4 2579 B9R0.57 CC(C)(C)CC(N)C(=O)O MCULE-6507277407 [0,2,0,0,0,0|1,0,1]=4 2580 B9R0.57 CC(C)(C)CC(O)C(=O)O MCULE-2158861127 [0,2,0,0,0,0|1,0,1]=4 2581 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-6215032420 [0,2,0,0,0,0|1,0,1]=4 2582 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O MCULE-8005575699 [0,2,0,0,0,0|1,0,1]=4 2583 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-1515081556 [0,2,0,0,0,0|1,0,1]=4 2584 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O MCULE-3358775275 [0,2,0,0,0,0|1,0,1]=4 2585 B9R0.57 CC(C)(F)CC(N)C(=O)O MCULE-2499553394 [0,2,0,0,0,0|1,0,1]=4 2586 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-2670827731 [0,2,0,0,0,0|1,0,1]=4 2587 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O MCULE-7946625431 [0,2,0,0,0,0|1,0,1]=4 2588 B9R0.57 CC(CC(C)(C)C)C(=O)O MCULE-1654401215 [0,2,0,0,0,0|1,0,1]=4 2589 B9R0.57 CC(CC(C)(C)N)C(=O)O MCULE-2497907613 [0,2,0,0,0,0|1,0,1]=4 2590 B9R0.57 CC(CC(C)(C)N)C(=O)O MCULE-7900482158 [0,2,0,0,0,0|1,0,1]=4 2591 B9R0.57 CC(CS(=O)(=O)C)C(=O)O MCULE-2992876868 [0,2,0,0,0,0|1,0,0]=3 2592 B9R0.57 CC(NS(=O)(=O)C)C(=O)O MCULE-2056263094 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.57 CC(OS(=O)(=O)C)C(=O)O MCULE-6814271322 [0,2,0,0,0,0|2,0,0]=4 2594 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-1117561111 [0,2,0,0,0,0|1,0,0]=3 2595 B9R0.57 CS(=O)(=O)C[C@H](N)C(=O)O MCULE-3044564695 [0,2,0,0,0,0|1,0,0]=3 2596 B9R0.57 C[C@@H](OS(=O)(=O)C)C(=O)O MCULE-3187136828 [0,2,0,0,0,0|2,0,0]=4 2597 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-2778053479 [0,2,0,0,0,0|2,0,0]=4 2598 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)O MCULE-4590226415 [0,2,0,0,0,0|2,0,0]=4 2599 B9R0.57 C[Si](C)(C)C[C@H](N)C(=O)O MCULE-5057039244 [0,2,0,0,0,0|1,1,0]=4 2600 B9R0.57 NC(CP(=O)(O)O)C(=O)O MCULE-3742656954 [0,2,0,0,0,0|2,0,0]=4 2601 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-3360025136 [0,2,0,0,0,0|2,0,0]=4 2602 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MCULE-4680118250 [0,2,0,0,0,0|2,0,0]=4 2603 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O MCULE-6935567843 [0,2,0,0,0,0|2,0,0]=4 2604 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-1558128725 [0,2,0,0,0,0|2,0,0]=4 2605 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O MCULE-6109276112 [0,2,0,0,0,0|2,0,0]=4 2606 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [0,2,0,0,0,0|1,0,0]=3 2607 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,2,0,0,0,0|1,0,0]=3 2608 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,2,0,0,0,0|1,0,0]=3 2609 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,2,0,0,0,0|1,0,0]=3 2610 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,2,0,0,0,0|1,0,0]=3 2611 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,2,0,0,0,0|1,0,0]=3 2612 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,2,0,0,0,0|1,0,1]=4 2613 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,2,0,0,0,0|1,0,1]=4 2614 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,2,0,0,0,0|1,0,1]=4 2615 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,2,0,0,0,0|1,0,1]=4 2616 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,2,0,0,0,0|1,0,1]=4 2617 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,2,0,0,0,0|1,0,1]=4 2618 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,2,0,0,0,0|1,0,1]=4 2619 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,2,0,0,0,0|1,0,1]=4 2620 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,2,0,0,0,0|1,0,1]=4 2621 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,2,0,0,0,0|1,0,1]=4 2622 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,2,0,0,0,0|1,0,1]=4 2623 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,2,0,0,0,0|1,0,1]=4 2624 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,2,0,0,0,0|0,0,2]=4 2625 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,2,0,0,0,0|0,0,2]=4 2626 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,2,0,0,0,0|0,0,2]=4 2627 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,2,0,0,0,0|1,0,0]=3 2628 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,2,0,0,0,0|1,0,0]=3 2629 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,2,0,0,0,0|1,0,0]=3 2630 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,2,0,0,0,0|0,0,2]=4 2631 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,2,0,0,0,0|0,0,2]=4 2632 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.79 NC(C(=O)O)C(N)C(=O)O MCULE-8316230798 [0,2,0,0,0,0|1,0,0]=3 2634 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,2,0,0,0,0|1,0,0]=3 2635 B9R0.79 N[C@@H](C(=O)O)[C@@H](F)C(=O)O MCULE-2171226271 [0,2,0,0,0,0|1,0,0]=3 2636 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-6540811499 [0,2,0,0,0,0|1,0,0]=3 2637 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,2,0,0,0,0|1,0,0]=3 2638 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,2,0,0,0,0|1,0,0]=3 2639 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O MCULE-5784765255 [0,2,0,0,0,0|1,0,0]=3 2640 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,2,0,0,0,0|1,0,0]=3 2641 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,2,0,0,0,0|1,0,0]=3 2642 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,2,0,0,0,0|1,0,0]=3 2643 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,2,0,0,0,0|1,0,0]=3 2644 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,2,0,0,0,0|1,0,0]=3 2645 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,2,0,0,0,0|1,0,0]=3 2646 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,2,0,0,0,0|1,0,0]=3 2647 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,2,0,0,0,0|1,0,0]=3 2648 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,2,0,0,0,0|1,0,0]=3 2649 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,2,0,0,0,0|1,0,0]=3 2650 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,2,0,0,0,0|1,0,0]=3 2651 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,2,0,0,0,0|1,0,0]=3 2652 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,2,0,0,0,0|1,0,0]=3 2653 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,2,0,0,0,0|1,0,0]=3 2654 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,2,0,0,0,0|1,0,0]=3 2655 B9R0.79 O=C(O)C(S)C(S)C(=O)O MCULE-6206640169 [0,2,0,0,0,0|1,0,0]=3 2656 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,2,0,0,0,0|1,0,0]=3 2657 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,2,0,0,0,0|1,0,0]=3 2658 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,2,0,0,0,0|1,0,0]=3 2659 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,2,0,0,0,0|1,0,0]=3 2660 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,2,0,0,0,0|1,0,0]=3 2661 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,2,0,0,0,0|1,0,0]=3 2662 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,2,0,0,0,0|1,0,0]=3 2663 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,2,0,0,0,0|1,0,0]=3 2664 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O MCULE-4542712392 [0,2,0,0,0,0|1,0,0]=3 2665 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,2,0,0,0,0|1,0,0]=3 2666 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,2,0,0,0,0|1,0,0]=3 2667 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,2,0,0,0,0|1,0,0]=3 2668 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,2,0,0,0,0|1,0,0]=3 2669 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,2,0,0,0,0|1,0,0]=3 2670 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,2,0,0,0,0|1,0,0]=3 2671 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O MCULE-4953802229 [0,2,0,0,0,0|1,0,0]=3 2672 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,2,0,0,0,0|1,0,0]=3 2673 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,2,0,0,0,0|1,0,0]=3 2674 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-1120076524 [0,2,0,0,0,0|1,0,1]=4 2675 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] MCULE-4518735246 [0,2,0,0,0,0|1,0,1]=4 2676 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,2,0,0,0,0|1,0,0]=3 2677 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,2,0,0,0,0|1,0,0]=3 2678 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,2,0,0,0,0|1,0,0]=3 2679 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,2,0,0,0,0|1,0,0]=3 2680 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-5904390200 [0,2,0,0,0,0|1,0,1]=4 2681 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-7305038555 [0,2,0,0,0,0|1,0,1]=4 2682 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9168226203 [0,2,0,0,0,0|1,0,1]=4 2683 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] MCULE-9463773027 [0,2,0,0,0,0|1,0,1]=4 2684 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,2,0,0,0,0|0,0,2]=4 2685 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,2,0,0,0,0|1,0,0]=3 2686 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,2,0,0,0,0|1,0,0]=3 2687 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,2,0,0,0,0|1,0,0]=3 2688 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,0,0,1,0,0|1,0,1]=4 2689 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [1,0,0,1,0,0|0,0,1]=3 2690 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,1,0,0|1,0,0]=3 2691 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [1,0,0,1,0,0|2,0,0]=4 2692 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,0,0,1,0,0|2,0,0]=4 2693 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,1,0,0|0,0,1]=3 2694 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,1,0,0|0,0,1]=3 2695 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [1,0,0,1,0,0|0,1,1]=4 2696 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [1,0,0,1,0,0|2,0,0]=4 2697 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|1,0,1]=4 2698 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,0,0,1,0,0|1,0,1]=4 2699 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,0,0,1,0,0|1,0,1]=4 2700 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|0,0,1]=3 2701 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|1,0,1]=4 2702 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,1,0,0|1,0,1]=4 2703 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [1,0,0,1,0,0|2,0,0]=4 2704 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [1,0,0,1,0,0|2,0,0]=4 2705 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,0,0,1,0,0|1,0,1]=4 2706 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,0,0,1,0,0|1,0,1]=4 2707 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|0,0,1]=3 2708 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|1,0,1]=4 2709 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|1,0,1]=4 2710 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,1,0,0|1,0,1]=4 2711 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,1,0,0|1,0,1]=4 2712 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|1,0,1]=4 2713 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,0,0,1,0,0|1,0,1]=4 2714 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,0,0,1,0,0|1,0,1]=4 2715 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|0,0,1]=3 2716 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,1,0,0|1,0,1]=4 2717 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,1,0,0|1,0,1]=4 2718 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [1,0,0,1,0,0|1,0,1]=4 2719 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,0,0,1,0,0|1,0,1]=4 2720 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,0,0,1,0,0|1,0,1]=4 2721 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [1,0,0,1,0,0|1,0,1]=4 2722 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [1,0,0,1,0,0|1,0,1]=4 2723 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [1,0,0,1,0,0|1,0,1]=4 2724 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [1,0,0,1,0,0|0,0,1]=3 2725 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,1,0,0|1,0,1]=4 2726 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [1,0,0,1,0,0|1,0,1]=4 2727 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [1,0,0,1,0,0|0,0,2]=4 2728 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [1,0,0,1,0,0|0,0,2]=4 2729 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [1,0,0,1,0,0|1,0,1]=4 2730 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [1,0,0,1,0,0|2,0,0]=4 2731 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,0,0,1,0,0|1,0,1]=4 2732 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|1,0,1]=4 2733 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|1,0,1]=4 2734 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [1,0,0,1,0,0|0,0,0]=2 2735 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [1,0,0,1,0,0|1,0,0]=3 2736 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [1,0,0,1,0,0|0,0,0]=2 2737 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,0,0,1,0,0|1,0,1]=4 2738 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,0,0,1,0,0|1,0,1]=4 2739 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|0,0,1]=3 2740 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|1,0,1]=4 2741 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|1,0,1]=4 2742 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|0,0,2]=4 2743 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,0,0,1,0,0|1,0,0]=3 2744 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,0,0,1,0,0|2,0,0]=4 2745 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [1,0,0,1,0,0|1,0,0]=3 2746 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [1,0,0,1,0,0|1,1,0]=4 2747 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [1,0,0,1,0,0|1,0,0]=3 2748 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [1,0,0,1,0,0|2,0,0]=4 2749 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [1,0,0,1,0,0|2,0,0]=4 2750 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [1,0,0,1,0,0|2,0,0]=4 2751 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,0,0,1,0,0|1,0,1]=4 2752 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,0,0,1,0,0|1,0,1]=4 2753 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|1,0,1]=4 2754 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|1,0,1]=4 2755 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,0,0,1,0,0|1,0,1]=4 2756 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,0,0,1,0,0|1,0,1]=4 2757 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|1,0,1]=4 2758 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|1,0,1]=4 2759 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|1,0,1]=4 2760 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [1,0,0,1,0,0|1,0,1]=4 2761 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [1,0,0,1,0,0|2,0,0]=4 2762 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [1,0,0,1,0,0|1,0,1]=4 2763 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [1,0,0,1,0,0|0,0,1]=3 2764 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [1,0,0,1,0,0|1,0,1]=4 2765 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,1,0,0|1,0,1]=4 2766 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,1,0,0|0,0,1]=3 2767 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,1,0,0|0,1,1]=4 2768 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [1,0,0,1,0,0|1,0,1]=4 2769 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [1,0,0,1,0,0|1,0,1]=4 2770 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,1,0,0|0,0,1]=3 2771 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,1,0,0|0,1,1]=4 2772 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [1,0,0,1,0,0|2,0,0]=4 2773 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [1,0,0,1,0,0|2,0,0]=4 2774 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [1,0,0,1,0,0|2,0,0]=4 2775 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [1,0,0,1,0,0|2,0,0]=4 2776 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [1,0,0,1,0,0|2,0,0]=4 2777 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,1,0,0|1,0,1]=4 2778 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,1,0,0|1,0,1]=4 2779 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,1,0,0|1,0,1]=4 2780 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,1,0,0|1,0,1]=4 2781 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,1,0,0|1,0,1]=4 2782 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [1,0,0,1,0,0|1,0,1]=4 2783 B7R1.7 O=CCCC1CC1 MCULE-2890512932 [1,0,0,1,0,0|1,0,1]=4 2784 B7R1.10 C#CC1CC(=O)C1 MCULE-3858789141 [1,0,0,1,0,0|1,0,1]=4 2785 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [1,0,0,1,0,0|1,0,1]=4 2786 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [1,0,0,1,0,0|1,0,0]=3 2787 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [1,0,0,1,0,0|1,0,1]=4 2788 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [1,0,0,1,0,0|1,0,1]=4 2789 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [1,0,0,1,0,0|1,0,1]=4 2790 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [1,0,0,1,0,0|2,0,0]=4 2791 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [1,0,0,1,0,0|2,0,0]=4 2792 B7R1.10 N#CC1CC(=O)C1 MCULE-7054848642 [1,0,0,1,0,0|1,0,1]=4 2793 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [1,0,0,1,0,0|1,0,1]=4 2794 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [1,0,0,1,0,0|1,0,1]=4 2795 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [1,0,0,1,0,0|1,0,1]=4 2796 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [1,0,0,1,0,0|1,0,1]=4 2797 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [1,0,0,1,0,0|1,0,1]=4 2798 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,1,0,0|0,0,1]=3 2799 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,1,0,0|1,0,1]=4 2800 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,1,0,0|1,0,1]=4 2801 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [1,0,0,1,0,0|1,0,1]=4 2802 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,1,0,0|1,0,1]=4 2803 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,1,0,0|1,0,1]=4 2804 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,1,0,0|1,0,1]=4 2805 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|0,0,1]=3 2806 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|1,0,1]=4 2807 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|1,0,1]=4 2808 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|0,0,1]=3 2809 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|1,0,1]=4 2810 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|1,0,1]=4 2811 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|0,0,1]=3 2812 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|0,0,1]=3 2813 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|0,0,1]=3 2814 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|0,0,1]=3 2815 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|0,0,1]=3 2816 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|0,0,1]=3 2817 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|0,0,1]=3 2818 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|0,0,1]=3 2819 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|0,0,1]=3 2820 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|0,0,1]=3 2821 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|1,0,1]=4 2822 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|1,0,1]=4 2823 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|1,0,1]=4 2824 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|1,0,1]=4 2825 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|1,0,1]=4 2826 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|1,0,1]=4 2827 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|1,0,1]=4 2828 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|1,0,1]=4 2829 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|1,0,1]=4 2830 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|1,0,1]=4 2831 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|1,0,1]=4 2832 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|1,0,1]=4 2833 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|1,0,1]=4 2834 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|1,0,1]=4 2835 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|1,0,1]=4 2836 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|1,0,1]=4 2837 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|1,0,1]=4 2838 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|1,0,1]=4 2839 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|1,0,1]=4 2840 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|1,0,1]=4 2841 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|1,0,1]=4 2842 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|1,0,1]=4 2843 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|0,0,1]=3 2844 B7R1.17 CC1(CCC1=O)C MCULE-3723871956 [1,0,0,1,0,0|1,0,1]=4 2845 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|1,0,1]=4 2846 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|1,0,1]=4 2847 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [1,0,0,1,0,0|2,0,0]=4 2848 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [1,0,0,1,0,0|2,0,0]=4 2849 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [1,0,0,1,0,0|2,0,0]=4 2850 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [1,0,0,1,0,0|2,0,0]=4 2851 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [1,0,0,1,0,0|2,0,0]=4 2852 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|1,0,1]=4 2853 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [1,0,0,1,0,0|2,0,0]=4 2854 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [1,0,0,1,0,0|2,0,0]=4 2855 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [1,0,0,1,0,0|2,0,0]=4 2856 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [1,0,0,1,0,0|2,0,0]=4 2857 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|1,0,1]=4 2858 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|0,0,1]=3 2859 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|1,0,1]=4 2860 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|1,0,1]=4 2861 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|1,0,1]=4 2862 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|0,0,2]=4 2863 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|0,0,2]=4 2864 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|1,0,0]=3 2865 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|1,0,0]=3 2866 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|1,0,0]=3 2867 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|1,0,0]=3 2868 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|1,0,1]=4 2869 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|1,0,1]=4 2870 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|1,0,1]=4 2871 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|1,0,1]=4 2872 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|0,0,2]=4 2873 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|0,0,2]=4 2874 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|1,0,1]=4 2875 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|1,0,1]=4 2876 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|1,0,1]=4 2877 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|1,0,1]=4 2878 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|0,0,2]=4 2879 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|0,0,2]=4 2880 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|1,0,1]=4 2881 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|1,0,1]=4 2882 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|1,0,1]=4 2883 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|1,0,1]=4 2884 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|0,0,1]=3 2885 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|1,0,0]=3 2886 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|1,0,0]=3 2887 B7R1.23 CC1(CC1C=O)Br MCULE-1505961517 [1,0,0,1,0,0|1,0,1]=4 2888 B7R1.23 CC1(CC1C=O)C MCULE-9386051771 [1,0,0,1,0,0|1,0,1]=4 2889 B7R1.16 O=C1CS(=O)(=O)C1 MCULE-9020745203 [0,0,0,1,1,0|1,0,1]=4 2890 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,1|0,0,0]=2 2891 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,1|1,0,0]=3 2892 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,0,0,1,0,1|1,0,1]=4 2893 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,1,0,1|2,0,0]=4 2894 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,1,0,1|2,0,0]=4 2895 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,1|1,0,0]=3 2896 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,1,0,1|0,0,0]=2 2897 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,1,0,1|1,0,0]=3 2898 B9R1.35 CC(=O)N1CCC(=N1)N MCULE-6589962377 [0,0,0,1,0,1|2,0,0]=4 2899 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,0,0,1,0,1|1,0,0]=3 2900 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,0,0,1,0,1|1,0,1]=4 2901 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,0,0,1,0,1|1,0,1]=4 2902 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,0,0,1,0,1|1,0,1]=4 2903 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,0,0,1,0,1|1,0,1]=4 2904 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,0,0,1,0,1|1,0,1]=4 2905 B9R1.35 CC(C)C1CNC(=O)O1 MCULE-1501293157 [0,0,0,1,0,1|1,0,1]=4 2906 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,1|1,0,0]=3 2907 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,1|1,0,0]=3 2908 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,1|1,0,0]=3 2909 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,1,0,1|1,0,0]=3 2910 B9R1.35 CC1=NC(CS1)C(=O)[O-] MCULE-8494242040 [0,0,0,1,0,1|1,0,1]=4 2911 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,0,0,1,0,1|2,0,0]=4 2912 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,0,0,1,0,1|2,0,0]=4 2913 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,0,0,1,0,1|1,0,1]=4 2914 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,1|1,0,1]=4 2915 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,1,0,1|1,0,1]=4 2916 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,1,0,1|1,0,1]=4 2917 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,1|0,0,2]=4 2918 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,1|1,0,1]=4 2919 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,1|1,0,1]=4 2920 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,1,0,1|1,0,1]=4 2921 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,0,0,1,0,1|1,0,1]=4 2922 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,0,0,1,0,1|1,0,1]=4 2923 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,1,0,1|2,0,0]=4 2924 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,1,0,1|2,0,0]=4 2925 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,1,0,1|2,0,0]=4 2926 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,1,0,1|2,0,0]=4 2927 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,1,0,1|2,0,0]=4 2928 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,1,0,1|2,0,0]=4 2929 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,1,0,1|2,0,0]=4 2930 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,1,0,1|2,0,0]=4 2931 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,1,0,1|1,0,1]=4 2932 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,1,0,1|1,0,1]=4 2933 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,1|0,0,2]=4 2934 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,1|0,0,2]=4 2935 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,1,0,1|1,0,1]=4 2936 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,1,0,1|1,0,1]=4 2937 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,1,0,1|1,0,1]=4 2938 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,1,0,1|1,0,1]=4 2939 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,1,0,1|1,0,1]=4 2940 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,1,0,1|1,0,1]=4 2941 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,1|1,0,1]=4 2942 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,1|1,0,1]=4 2943 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,1|1,0,1]=4 2944 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,1|1,0,1]=4 2945 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,1,0,1|1,0,1]=4 2946 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,1,0,1|1,0,1]=4 2947 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,1,0,1|1,0,1]=4 2948 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,1,0,1|1,0,1]=4 2949 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,1|1,0,1]=4 2950 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,1|1,0,1]=4 2951 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,1|1,0,1]=4 2952 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,1|1,0,1]=4 2953 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,0,0,1,0,1|2,0,0]=4 2954 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [0,0,0,1,0,1|1,0,0]=3 2955 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,0,0,1,0,1|2,0,0]=4 2956 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,0,0,1,0,1|2,0,0]=4 2957 B9R1.35 NC1=NC(CS1)C(=O)O MCULE-3669823666 [0,0,0,1,0,1|2,0,0]=4 2958 B9R1.35 NC1=N[C@@H](CS1)C(=O)O MCULE-6192179870 [0,0,0,1,0,1|2,0,0]=4 2959 B9R1.35 NC1=N[C@H](CS1)C(=O)O MCULE-7308504151 [0,0,0,1,0,1|2,0,0]=4 2960 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,1,0,1|1,0,1]=4 2961 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,1,0,1|1,0,1]=4 2962 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,1|1,0,1]=4 2963 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,1|1,0,1]=4 2964 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,1,0,1|1,0,1]=4 2965 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,1,0,1|1,0,1]=4 2966 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,1,0,1|1,0,1]=4 2967 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,1,0,1|1,0,1]=4 2968 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,1,0,1|1,0,1]=4 2969 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,1,0,1|1,0,1]=4 2970 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,1,0,1|1,0,1]=4 2971 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,1,0,1|1,0,1]=4 2972 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,1|1,0,1]=4 2973 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,1|1,0,1]=4 2974 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,1|1,0,1]=4 2975 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,1|1,0,1]=4 2976 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,1|1,0,1]=4 2977 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,1|1,0,1]=4 2978 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,1|1,0,1]=4 2979 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,1|1,0,1]=4 2980 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,1,0,1|1,0,1]=4 2981 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,1,0,1|1,0,1]=4 2982 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,1,0,1|1,0,1]=4 2983 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,1,0,1|1,0,1]=4 2984 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,1,0,1|1,0,1]=4 2985 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,1,0,1|1,0,1]=4 2986 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,1,0,1|1,0,1]=4 2987 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,1,0,1|1,0,1]=4 2988 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,1,0,1|1,0,1]=4 2989 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,1,0,1|1,0,1]=4 2990 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,1|1,0,1]=4 2991 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,1|1,0,1]=4 2992 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,1|1,0,1]=4 2993 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,1|1,0,1]=4 2994 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,1|1,0,1]=4 2995 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,1|1,0,1]=4 2996 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,1|1,0,1]=4 2997 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,1|1,0,1]=4 2998 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,1|1,0,1]=4 2999 B9R1.35 O=C(O)C1CC(=NO1)Br MCULE-8217813426 [0,0,0,1,0,1|2,0,0]=4 3000 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,1|1,0,1]=4 3001 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,1|1,0,1]=4 3002 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,1|1,0,1]=4 3003 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,1|0,0,2]=4 3004 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,1|0,0,2]=4 3005 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,1|0,1,1]=4 3006 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,1|0,1,1]=4 3007 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,1,0,1|1,0,1]=4 3008 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,1,0,1|1,0,1]=4 3009 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,1|0,0,2]=4 3010 B9R1.35 O=C(O)C1CSC(=S)N1 MCULE-1769481962 [0,0,0,1,0,1|1,1,0]=4 3011 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,1|0,0,2]=4 3012 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,1|0,1,1]=4 3013 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,1|0,1,1]=4 3014 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,1|0,0,2]=4 3015 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,1|0,0,2]=4 3016 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,1|0,0,2]=4 3017 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-3331947152 [0,0,0,1,0,1|1,1,0]=4 3018 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 MCULE-7575485678 [0,0,0,1,0,1|1,1,0]=4 3019 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,1|1,0,1]=4 3020 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,1|1,0,1]=4 3021 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,1|1,0,1]=4 3022 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,1|1,0,1]=4 3023 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,1|1,0,1]=4 3024 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,1|1,0,1]=4 3025 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,1|0,0,2]=4 3026 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,1|0,0,2]=4 3027 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,1|0,0,2]=4 3028 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,1|0,0,2]=4 3029 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,1|0,0,2]=4 3030 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,1|0,1,1]=4 3031 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,1|0,1,1]=4 3032 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,1|0,1,1]=4 3033 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,1|0,1,1]=4 3034 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,1|1,0,1]=4 3035 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,1|1,0,1]=4 3036 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,1|1,0,1]=4 3037 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,1|1,0,1]=4 3038 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,1|0,0,2]=4 3039 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,1|0,0,2]=4 3040 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,1|0,0,2]=4 3041 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,1|0,0,2]=4 3042 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,1|0,1,1]=4 3043 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,1|0,1,1]=4 3044 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,1|0,1,1]=4 3045 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,1|0,1,1]=4 3046 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,1|0,1,1]=4 3047 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,1|0,1,1]=4 3048 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,1|0,0,2]=4 3049 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,1|0,0,2]=4 3050 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,1|0,0,2]=4 3051 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,1|1,0,1]=4 3052 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,1|1,0,1]=4 3053 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,1|1,0,1]=4 3054 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,1|0,0,2]=4 3055 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,1|0,0,2]=4 3056 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,1|0,0,2]=4 3057 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,1|0,0,2]=4 3058 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,1|0,0,2]=4 3059 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,1|1,0,1]=4 3060 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,1|1,0,1]=4 3061 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,1|1,0,1]=4 3062 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,1|1,0,1]=4 3063 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,1|0,0,2]=4 3064 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,1|0,0,2]=4 3065 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,1|0,0,2]=4 3066 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,1|0,0,2]=4 3067 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,1,0,1|0,0,1]=3 3068 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [0,0,0,1,0,1|1,0,1]=4 3069 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,1,0,1|0,0,0]=2 3070 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,1,0,1|0,0,0]=2 3071 B9R1.35 O=C1CC(CO1)P(=O)[O-] MCULE-1427817828 [0,0,0,1,0,1|1,0,1]=4 3072 B9R1.35 O=C1CC(CO1)P(=O)[O-] MCULE-4673203835 [0,0,0,1,0,1|1,0,1]=4 3073 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,1,0,1|0,0,0]=2 3074 B9R1.35 O=C1CC(NN1)C(=O)O MCULE-3197471189 [0,0,0,1,0,1|1,0,0]=3 3075 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,1|0,0,0]=2 3076 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,0,0,1,0,1|2,0,0]=4 3077 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,1|1,0,0]=3 3078 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,1|1,0,0]=3 3079 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,0,0,1,0,1|1,0,1]=4 3080 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,1|1,0,0]=3 3081 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,1|1,0,0]=3 3082 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,1|0,0,0]=2 3083 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,1|0,0,0]=2 3084 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,1|1,0,0]=3 3085 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,1|1,0,0]=3 3086 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,1,0,1|1,0,0]=3 3087 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,1|1,0,0]=3 3088 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,1|1,0,0]=3 3089 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,1|0,0,0]=2 3090 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,1|0,0,0]=2 3091 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,1|1,0,0]=3 3092 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,1|1,0,0]=3 3093 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,1|1,0,0]=3 3094 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,0,0,1,0,1|1,0,1]=4 3095 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,0,0,1,0,1|1,0,1]=4 3096 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,1,0,1|1,0,0]=3 3097 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,1|1,0,0]=3 3098 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,1|1,0,0]=3 3099 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,1|1,0,0]=3 3100 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,1|0,0,0]=2 3101 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,1|0,0,0]=2 3102 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,1|0,0,0]=2 3103 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,1|0,0,0]=2 3104 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,1|0,0,0]=2 3105 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,1|0,0,0]=2 3106 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,1|0,0,0]=2 3107 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,1|0,0,0]=2 3108 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,1,0,1|0,0,0]=2 3109 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,1,0,1|0,0,0]=2 3110 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,1,0,1|0,0,0]=2 3111 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,1,0,1|0,0,0]=2 3112 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,1,0,1|0,0,0]=2 3113 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,1,0,1|0,0,0]=2 3114 B9R1.35 O=C1NC(CO1)C(=O)O MCULE-5946769187 [0,0,0,1,0,1|1,0,0]=3 3115 B9R1.35 O=C1NC(CS1)C(=O)O MCULE-4574359237 [0,0,0,1,0,1|1,0,0]=3 3116 B9R1.35 O=C1NCC(N1)C(=O)O MCULE-5872947769 [0,0,0,1,0,1|1,0,0]=3 3117 B9R1.35 O=C1NCC(O1)C(=O)O MCULE-2773613806 [0,0,0,1,0,1|1,0,0]=3 3118 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-3499982275 [0,0,0,1,0,1|1,0,0]=3 3119 B9R1.35 O=C1NC[C@@H](N1)C(=O)O MCULE-9995046216 [0,0,0,1,0,1|1,0,0]=3 3120 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-2524102915 [0,0,0,1,0,1|1,0,0]=3 3121 B9R1.35 O=C1NC[C@H](N1)C(=O)O MCULE-5992511798 [0,0,0,1,0,1|1,0,0]=3 3122 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-5972751457 [0,0,0,1,0,1|1,0,0]=3 3123 B9R1.35 O=C1NC[C@H](O1)C(=O)O MCULE-6879191654 [0,0,0,1,0,1|1,0,0]=3 3124 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-2786614278 [0,0,0,1,0,1|1,0,0]=3 3125 B9R1.35 O=C1N[C@@H](CO1)C(=O)O MCULE-8589745511 [0,0,0,1,0,1|1,0,0]=3 3126 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-8232416107 [0,0,0,1,0,1|1,0,0]=3 3127 B9R1.35 O=C1N[C@@H](CS1)C(=O)O MCULE-9439896780 [0,0,0,1,0,1|1,0,0]=3 3128 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-3716829138 [0,0,0,1,0,1|1,0,0]=3 3129 B9R1.35 O=C1N[C@H](CO1)C(=O)O MCULE-9300998688 [0,0,0,1,0,1|1,0,0]=3 3130 B9R1.35 O=C1N[C@H](CS1)C(=O)O MCULE-3120744944 [0,0,0,1,0,1|1,0,0]=3 3131 B9R1.35 O=C1OCC(O1)C(=O)O MCULE-2772637927 [0,0,0,1,0,1|1,0,0]=3 3132 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 3133 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,1,0,1|1,0,1]=4 3134 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,1,0,1|1,0,1]=4 3135 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 3136 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 3137 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 3138 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 3139 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 3140 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 3141 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,0,0,1,0,1|1,0,0]=3 3142 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,0,1,0,1|1,0,0]=3 3143 B9R1.49 O=C1CCCS(=O)CC1 MCULE-7517634998 [0,0,0,1,0,1|2,0,0]=4 3144 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,0,0,1,0,1|1,0,0]=3 3145 B9R1.53 CC(=O)OC1CC(=O)C1 MCULE-7425005472 [0,0,0,1,0,1|1,0,0]=3 3146 B9R1.53 CC(=O)OC1CC(=O)N1 MCULE-7042794483 [0,0,0,1,0,1|1,0,0]=3 3147 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,0,0,1,0,1|1,0,1]=4 3148 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6114587935 [0,0,0,1,0,1|2,0,0]=4 3149 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6524445855 [0,0,0,1,0,1|2,0,0]=4 3150 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,0,0,1,0,1|1,0,1]=4 3151 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,0,0,1,0,1|1,0,1]=4 3152 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,0,0,1,0,1|1,0,1]=4 3153 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,0,0,1,0,1|1,0,1]=4 3154 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,0,0,1,0,1|1,0,1]=4 3155 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,0,0,1,0,1|1,0,1]=4 3156 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,0,0,1,0,1|0,0,0]=2 3157 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,0,0,1,0,1|0,0,0]=2 3158 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,0,0,1,0,1|1,0,1]=4 3159 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,0,0,1,0,1|1,0,1]=4 3160 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,0,0,1,0,1|1,0,1]=4 3161 B9R1.66 O=C1CCCS(=O)(=O)C1 MCULE-5523551731 [0,0,0,1,0,1|1,0,1]=4 3162 B9R1.66 O=C1CS(=O)(=O)CCN1 MCULE-7263537050 [0,0,0,1,0,1|1,0,1]=4 3163 B9R1.85 O=C(O)CCCC1CC1 MCULE-4019156455 [0,0,0,1,0,1|1,0,1]=4 3164 B9R1.85 O=C(O)CCNC1CC1 MCULE-2302148090 [0,0,0,1,0,1|1,0,1]=4 3165 B9R1.85 O=C(O)CCNC1CC1 MCULE-5027011962 [0,0,0,1,0,1|1,0,1]=4 3166 B9R1.85 O=C(O)CCOC1CC1 MCULE-6940104376 [0,0,0,1,0,1|1,0,1]=4 3167 B9R1.85 O=C(O)CCSC1CC1 MCULE-5319803876 [0,0,0,1,0,1|1,0,1]=4 3168 B9R1.85 O=C(O)CNCC1CC1 MCULE-2914571109 [0,0,0,1,0,1|1,0,1]=4 3169 B9R1.85 O=C(O)CNCC1CC1 MCULE-8479764724 [0,0,0,1,0,1|1,0,1]=4 3170 B9R1.85 O=C(O)COCC1CC1 MCULE-1838251623 [0,0,0,1,0,1|1,0,1]=4 3171 B9R1.85 O=C(O)CSCC1CC1 MCULE-7765855577 [0,0,0,1,0,1|1,0,1]=4 3172 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,0,0,1,0,1|1,0,1]=4 3173 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,0,0,1,0,1|1,0,0]=3 3174 B9R1.161 O=C(Cl)C1OC1C(=O)Cl MCULE-9383694320 [0,0,0,1,0,1|2,0,0]=4 3175 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,0,0,1,0,1|1,0,0]=3 3176 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [0,0,0,1,0,1|2,0,0]=4 3177 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,0,0,1,0,1|1,0,0]=3 3178 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,0,0,1,0,1|1,0,0]=3 3179 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,0,0,1,0,1|1,0,0]=3 3180 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,0,0,1,0,1|1,0,0]=3 3181 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,0,0,1,0,1|1,0,0]=3 3182 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,0,0,1,0,1|1,0,0]=3 3183 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,0,0,1,0,1|1,0,0]=3 3184 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,0,0,1,0,1|1,0,0]=3 3185 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [0,0,0,1,0,1|2,0,0]=4 3186 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,0,0,1,0,1|1,0,0]=3 3187 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,0,0,1,0,1|1,0,0]=3 3188 B9R1.161 O=C([O-])[C@H]1O[C@H]1C(=O)[O-] MCULE-9392079342 [0,0,0,1,0,1|1,0,1]=4 3189 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,0,0,1,0,1|1,0,1]=4 3190 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,0,0,1,0,1|1,0,1]=4 3191 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,0,0,1,0,1|1,0,1]=4 3192 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,0,0,1,0,1|1,0,1]=4 3193 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,0,0,1,0,1|1,0,1]=4 3194 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,0,0,1,0,1|1,0,1]=4 3195 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,0,0,1,0,1|1,0,1]=4 3196 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [0,0,0,1,0,1|2,0,0]=4 3197 B9R1.170 CC1(CC1CC(=O)O)C MCULE-4662857705 [0,0,0,1,0,1|1,0,1]=4 3198 B9R1.1 COC1CCC(=O)CC1 MCULE-7787037916 [0,1,0,1,0,0|1,0,1]=4 3199 B9R1.1 CON1CCC(=O)CC1 MCULE-8882974205 [0,1,0,1,0,0|2,0,0]=4 3200 B9R1.1 O=C1CCC(CC1)CO MCULE-4178685012 [0,1,0,1,0,0|1,0,1]=4 3201 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [0,1,0,1,0,0|1,0,1]=4 3202 B9R1.1 O=CN1CCC(=O)CC1 MCULE-8700120367 [0,1,0,1,0,0|2,0,0]=4 3203 B9R1.10 CC1(CCC(=O)CC1)O MCULE-2229659445 [0,1,0,1,0,0|1,0,1]=4 3204 B9R1.10 CC1(CCC(=O)NC1)O MCULE-7575084639 [0,1,0,1,0,0|1,0,1]=4 3205 B9R1.10 O=C1CCS(=O)(=O)CC1 MCULE-5397121534 [0,1,0,1,0,0|1,0,1]=4 3206 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [0,1,0,1,0,0|1,0,0]=3 3207 B9R1.67 CC(=O)OC1CCC1=O MCULE-2752800385 [0,1,0,1,0,0|2,0,0]=4 3208 B9R1.67 CC(O)CC1CCC1=O MCULE-5157418140 [0,1,0,1,0,0|1,0,1]=4 3209 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [0,1,0,1,0,0|1,0,1]=4 3210 B9R1.69 CC1=NN(C(=O)CC1)C MCULE-6057053372 [0,1,0,1,0,0|2,0,0]=4 3211 B9R1.69 CC1=NNC(=O)CC1C MCULE-3840929129 [0,1,0,1,0,0|2,0,0]=4 3212 B9R1.69 CC1CC(=O)CCC1=O MCULE-2258739718 [0,1,0,1,0,0|1,0,0]=3 3213 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,1,0,1,0,0|1,0,1]=4 3214 B9R1.69 CC1CC(CCC1=O)O MCULE-4154713632 [0,1,0,1,0,0|1,0,1]=4 3215 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [0,1,0,1,0,0|1,0,1]=4 3216 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,1,0,1,0,0|1,0,1]=4 3217 B9R1.69 CC1NC(=O)CNC1=O MCULE-3674832613 [0,1,0,1,0,0|2,0,0]=4 3218 B9R1.69 CC1NC(=O)CNC1=O MCULE-9058910414 [0,1,0,1,0,0|2,0,0]=4 3219 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,1,0,1,0,0|1,0,0]=3 3220 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,1,0,1,0,0|1,0,1]=4 3221 B9R1.69 CN1CC(=O)CCC1=O MCULE-3870648341 [0,1,0,1,0,0|1,0,0]=3 3222 B9R1.69 CN1CC(=O)NCC1=O MCULE-2620095873 [0,1,0,1,0,0|2,0,0]=4 3223 B9R1.69 CN1CC(CCC1=O)O MCULE-4021195315 [0,1,0,1,0,0|1,0,1]=4 3224 B9R1.69 CN1CCC(=O)CC1=O MCULE-7583281341 [0,1,0,1,0,0|2,0,0]=4 3225 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,1,0,1,0,0|2,0,0]=4 3226 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,1,0,1,0,0|1,0,1]=4 3227 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-2449320004 [0,1,0,1,0,0|2,0,0]=4 3228 B9R1.69 C[C@@H]1NC(=O)CNC1=O MCULE-7629090482 [0,1,0,1,0,0|2,0,0]=4 3229 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,1,0,1,0,0|1,0,1]=4 3230 B9R1.69 C[C@H]1NC(=O)CNC1=O MCULE-5376605309 [0,1,0,1,0,0|2,0,0]=4 3231 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,1,0,1,0,0|1,0,1]=4 3232 B9R1.80 COC(=O)CCC1CO1 MCULE-7910688500 [0,1,0,1,0,0|0,0,2]=4 3233 B9R1.82 C=C1CC(C1)/C(=N/O)/N MCULE-5355894399 [0,1,0,1,0,0|2,0,0]=4 3234 B9R1.82 C=C1CC(C1)C(=O)OC MCULE-8011797750 [0,1,0,1,0,0|1,0,0]=3 3235 B9R1.82 CNC(=O)C1CC(C1)O MCULE-1529186751 [0,1,0,1,0,0|1,0,1]=4 3236 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O MCULE-8028192648 [0,1,0,1,0,0|1,0,1]=4 3237 B9R1.82 COC(=O)C1CC(=O)C1 MCULE-8671943269 [0,1,0,1,0,0|0,0,0]=2 3238 B9R1.82 COC(=O)C1CC(C1)Br MCULE-6919888743 [0,1,0,1,0,0|1,0,1]=4 3239 B9R1.82 COC(=O)C1CC(C1)C MCULE-6294133796 [0,1,0,1,0,0|1,0,1]=4 3240 B9R1.82 COC(=O)C1CC(C1)Cl MCULE-6335137966 [0,1,0,1,0,0|1,0,1]=4 3241 B9R1.82 COC(=O)C1CC(C1)F MCULE-7350931097 [0,1,0,1,0,0|1,0,1]=4 3242 B9R1.82 COC(=O)C1CC(C1)I MCULE-7700167011 [0,1,0,1,0,0|1,0,1]=4 3243 B9R1.82 COC(=O)C1CC(C1)N MCULE-6848727495 [0,1,0,1,0,0|1,0,1]=4 3244 B9R1.82 COC(=O)C1CC(C1)N MCULE-7901580981 [0,1,0,1,0,0|1,0,1]=4 3245 B9R1.82 COC(=O)C1CC(C1)O MCULE-3261368737 [0,1,0,1,0,0|0,0,2]=4 3246 B9R1.82 COC(=O)N1CC(=O)C1 MCULE-2799623238 [0,1,0,1,0,0|1,0,0]=3 3247 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)Br MCULE-9276010203 [0,1,0,1,0,0|1,0,1]=4 3248 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N MCULE-7126562831 [0,1,0,1,0,0|1,0,1]=4 3249 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N MCULE-9087679760 [0,1,0,1,0,0|1,0,1]=4 3250 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O MCULE-8119011760 [0,1,0,1,0,0|0,0,2]=4 3251 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N MCULE-1208738380 [0,1,0,1,0,0|1,0,1]=4 3252 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N MCULE-4735817474 [0,1,0,1,0,0|1,0,1]=4 3253 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O MCULE-5931352731 [0,1,0,1,0,0|0,0,2]=4 3254 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,1,0,1,0,0|1,0,1]=4 3255 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [0,1,0,1,0,0|2,0,0]=4 3256 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,1,0,1,0,0|1,0,1]=4 3257 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,1,0,1,0,0|1,0,1]=4 3258 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,1,0,1,0,0|1,0,1]=4 3259 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,1,0,1,0,0|2,0,0]=4 3260 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,1,0,1,0,0|1,0,1]=4 3261 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,1,0,1,0,0|1,0,1]=4 3262 B9R1.95 COC1CC(C1)C(=O)C MCULE-5091337590 [0,1,0,1,0,0|1,0,1]=4 3263 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,1,0,1,0,0|0,0,2]=4 3264 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,1,0,1,0,0|0,0,2]=4 3265 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,1,0,1,0,0|0,0,2]=4 3266 B9R1.95 N#CC1CC(C1)C(=O)O MCULE-9043105457 [0,1,0,1,0,0|1,0,1]=4 3267 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,1,0,1,0,0|1,0,1]=4 3268 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,1,0,1,0,0|1,0,1]=4 3269 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,1,0,1,0,0|1,0,1]=4 3270 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,1,0,1,0,0|1,0,1]=4 3271 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,1,0,1,0,0|1,0,1]=4 3272 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,1,0,1,0,0|1,0,1]=4 3273 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,1,0,1,0,0|0,0,2]=4 3274 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,1,0,1,0,0|0,0,2]=4 3275 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,1,0,1,0,0|0,0,2]=4 3276 B9R1.125 C=CC1(CCC(=O)O1)C MCULE-6337213328 [0,1,0,1,0,0|1,0,1]=4 3277 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,1,0,1,0,0|1,0,1]=4 3278 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,1,0,1,0,0|1,0,1]=4 3279 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,1,0,1,0,0|1,0,1]=4 3280 B9R1.147 CC1(N=N1)CCC(=O)O MCULE-3120941504 [0,1,0,1,0,0|1,0,1]=4 3281 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,1,0,1,0,0|0,0,2]=4 3282 B9R1.185 COC(=O)C1CC1(C)C MCULE-1185022768 [0,1,0,1,0,0|1,0,1]=4 3283 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-7823096614 [0,1,0,1,0,0|1,0,1]=4 3284 B9R1.36 CC1(CC(C(=O)O1)N)C MCULE-8973330971 [0,1,0,1,0,0|1,0,1]=4 3285 B9R1.38 CC1CC(=O)OC1(C)C MCULE-6169528498 [0,1,0,1,0,0|1,0,1]=4 3286 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [0,1,0,1,0,0|1,0,1]=4 3287 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,1,0,1,0,0|1,0,0]=3 3288 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,1,0,1,0,0|1,0,1]=4 3289 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,1,0,1,0,0|1,0,1]=4 3290 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,1,0,1,0,0|1,0,1]=4 3291 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,1,0,1,0,0|1,0,1]=4 3292 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,1,0,1,0,0|1,0,1]=4 3293 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,1,0,1,0,0|1,0,1]=4 3294 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,1,0,1,0,0|1,0,1]=4 3295 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,1,0,1,0,0|1,0,1]=4 3296 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,1,0,1,0,0|1,0,1]=4 3297 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,1,0,1,0,0|1,0,1]=4 3298 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,1,0,1,0,0|1,0,1]=4 3299 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,1,0,1,0,0|1,0,1]=4 3300 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [0,1,0,1,0,0|1,0,1]=4 3301 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [0,1,0,1,0,0|1,0,1]=4 3302 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [0,1,0,1,0,0|1,0,1]=4 3303 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [0,1,0,1,0,0|1,0,1]=4 3304 B9R1.152 C=C(C)C1(CC(=O)N1)C MCULE-1394575254 [0,1,0,1,0,0|2,0,0]=4 3305 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [0,1,0,1,0,0|1,0,0]=3 3306 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,1,0,1,0,0|1,0,0]=3 3307 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,1,0,1,0,0|0,0,0]=2 3308 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-2576475336 [0,1,0,1,0,0|1,0,1]=4 3309 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-6535558159 [0,1,0,1,0,0|1,0,1]=4 3310 B9R1.152 CC1CC(C1)(C)C(=O)O MCULE-6119301322 [0,1,0,1,0,0|1,0,1]=4 3311 B9R1.152 CN1CC(C1)(C)C(=O)O MCULE-4633405499 [0,1,0,1,0,0|2,0,0]=4 3312 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4599601598 [0,1,0,1,0,0|1,0,1]=4 3313 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4763611062 [0,1,0,1,0,0|1,0,1]=4 3314 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-2054460365 [0,1,0,1,0,0|1,0,1]=4 3315 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-8615255294 [0,1,0,1,0,0|1,0,1]=4 3316 B9R1.152 C[C@H]1C[C@@](C1)(N)C(=O)O MCULE-7807418833 [0,1,0,1,0,0|1,0,1]=4 3317 B9R1.152 C[C@H]1C[C@](C1)(N)C(=O)O MCULE-2634950955 [0,1,0,1,0,0|1,0,1]=4 3318 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-5206815009 [0,1,0,1,0,0|1,0,1]=4 3319 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-9944960595 [0,1,0,1,0,0|1,0,1]=4 3320 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,1,0,1,0,0|0,0,2]=4 3321 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,1,0,1,0,0|0,0,2]=4 3322 B9R1.152 NC1CC(C1)(F)C(=O)O MCULE-8174066741 [0,1,0,1,0,0|1,0,1]=4 3323 B9R1.152 N[C@@]1(C[C@@H](C1)F)C(=O)O MCULE-3535102578 [0,1,0,1,0,0|1,0,1]=4 3324 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,1,0,1,0,0|0,0,2]=4 3325 B9R1.152 N[C@@]1(C[C@H](C1)F)C(=O)O MCULE-4417403698 [0,1,0,1,0,0|1,0,1]=4 3326 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,1,0,1,0,0|0,0,2]=4 3327 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)F MCULE-1599041261 [0,1,0,1,0,0|0,0,2]=4 3328 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,1,0,1,0,0|0,0,2]=4 3329 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)F MCULE-8929901678 [0,1,0,1,0,0|0,0,2]=4 3330 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,1,0,1,0,0|0,0,2]=4 3331 B9R1.164 CC1(CC(C1)C(=O)O)C MCULE-2113829273 [0,1,0,1,0,0|1,0,1]=4 3332 B9R1.164 CC1(CC(C1)C(=O)O)F MCULE-6709976888 [0,1,0,1,0,0|1,0,1]=4 3333 B9R1.164 CC1(CC(C1)C(=O)O)O MCULE-2222519984 [0,1,0,1,0,0|0,0,2]=4 3334 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)F MCULE-5383135274 [0,1,0,1,0,0|1,0,1]=4 3335 B9R1.164 C[C@@]1(C[C@@H](C1)C(=O)O)O MCULE-4467958139 [0,1,0,1,0,0|0,0,2]=4 3336 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)F MCULE-3132782538 [0,1,0,1,0,0|1,0,1]=4 3337 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)O)O MCULE-3757447768 [0,1,0,1,0,0|0,0,2]=4 3338 B9R1.164 O=C(O)C1CC(C1)(F)F MCULE-2201483659 [0,1,0,1,0,0|1,0,1]=4 3339 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MCULE-7280424141 [0,1,0,1,0,0|1,0,0]=3 3340 B9R1.51 CS(=O)(=O)C1CC(=O)C1 MCULE-9574583187 [0,1,0,1,0,0|1,0,1]=4 3341 B9R2.145 O=C(O)C12CC(C1)C2 MCULE-3144378973 [0,0,0,2,0,0|1,0,1]=4 3342 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,2,0,0|1,0,1]=4 3343 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,2,0,0|1,0,1]=4 3344 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,2,0|1,0,1]=4 3345 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,2,0|2,0,0]=4 3346 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,2,0|2,0,0]=4 3347 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,2,0|2,0,0]=4 3348 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,2,0|1,0,0]=3 3349 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,2,0|1,0,1]=4 3350 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,2,0|1,0,1]=4 3351 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,2,0|1,0,1]=4 3352 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,2,0|1,0,1]=4 3353 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,2,0|1,0,1]=4 3354 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,2,0|1,0,0]=3 3355 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,2,0|1,0,0]=3 3356 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,2,0|1,0,0]=3 3357 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,2,0|0,0,0]=2 3358 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,2,0|0,0,1]=3 3359 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,2,0|0,0,1]=3 3360 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,2,0|0,0,1]=3 3361 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,0,0,0,2,0|1,1,0]=4 3362 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,2,0|1,0,1]=4 3363 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,2,0|1,0,1]=4 3364 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,2,0|1,0,1]=4 3365 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,2,0|1,0,1]=4 3366 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,2,0|1,0,1]=4 3367 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,2,0|1,0,1]=4 3368 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,2,0|1,0,1]=4 3369 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,2,0|1,0,1]=4 3370 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,2,0|1,0,1]=4 3371 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,2,0|1,0,1]=4 3372 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,2,0|1,0,1]=4 3373 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,2,0|0,0,2]=4 3374 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,2,0|0,0,2]=4 3375 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,2,0|0,1,1]=4 3376 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,2,0|2,0,0]=4 3377 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,2,0|1,0,1]=4 3378 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,2,0|1,0,1]=4 3379 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,2,0|1,0,1]=4 3380 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,2,0|1,0,1]=4 3381 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,2,0|1,0,1]=4 3382 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,2,0|1,0,1]=4 3383 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,2,0|0,0,2]=4 3384 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,2,0|0,0,2]=4 3385 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,2,0|1,0,1]=4 3386 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,2,0|1,0,1]=4 3387 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,2,0|1,0,1]=4 3388 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,2,0|1,0,1]=4 3389 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,2,0|1,0,1]=4 3390 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,2,0|1,0,1]=4 3391 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,2,0|1,0,1]=4 3392 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,2,0|1,0,1]=4 3393 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,2,0|0,0,2]=4 3394 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,2,0|0,0,2]=4 3395 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,0,0,0,2,0|2,0,0]=4 3396 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,2,0|1,0,0]=3 3397 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,0,0,0,2,0|1,0,1]=4 3398 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,0,0,0,2,0|1,0,1]=4 3399 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,0,0,0,2,0|2,0,0]=4 3400 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,0,0,0,2,0|2,0,0]=4 3401 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,2,0|1,0,0]=3 3402 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,2,0|1,0,0]=3 3403 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,2,0|1,0,0]=3 3404 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,2,0|1,0,0]=3 3405 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,2,0|1,0,0]=3 3406 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,2,0|1,0,0]=3 3407 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,2,0|1,0,0]=3 3408 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,2,0|1,0,0]=3 3409 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,2,0|1,0,0]=3 3410 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,2,0|1,0,0]=3 3411 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,2,0|1,0,0]=3 3412 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,0,0,0,2,0|1,0,1]=4 3413 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,0,0,0,2,0|1,0,1]=4 3414 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,0,0,0,2,0|1,0,1]=4 3415 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,0,0,0,2,0|1,0,1]=4 3416 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,0,0,0,2,0|1,0,1]=4 3417 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,0,0,0,2,0|1,0,1]=4 3418 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,0,0,0,2,0|1,0,1]=4 3419 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,0,0,0,2,0|1,0,1]=4 3420 B9R0.55 C=C(Br)CCCCC(=O)O MCULE-9413125657 [0,0,0,0,0,2|1,0,1]=4 3421 B9R0.55 C=C(C)CCCCC(=O)O MCULE-2837812117 [0,0,0,0,0,2|1,0,0]=3 3422 B9R0.55 C=C(Cl)CCCCC(=O)O MCULE-6161023222 [0,0,0,0,0,2|1,0,1]=4 3423 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [0,0,0,0,0,2|1,0,0]=3 3424 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [0,0,0,0,0,2|1,0,0]=3 3425 B9R0.55 CC(=O)CCCCC(=O)O MCULE-6216368990 [0,0,0,0,0,2|0,0,0]=2 3426 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [0,0,0,0,0,2|1,0,0]=3 3427 B9R0.55 CC(=O)NCCCC(=O)O MCULE-3194803041 [0,0,0,0,0,2|0,0,0]=2 3428 B9R0.55 CC(=O)NCCNC(=O)C MCULE-2725935578 [0,0,0,0,0,2|1,0,0]=3 3429 B9R0.55 CC(=O)NCCSC(=O)C MCULE-4148813739 [0,0,0,0,0,2|1,0,0]=3 3430 B9R0.55 CC(=O)NCCSC(=[NH2+])N MCULE-2138383833 [0,0,0,0,0,2|2,0,0]=4 3431 B9R0.55 CC(=O)OCCC=C(F)F MCULE-7553051053 [0,0,0,0,0,2|2,0,0]=4 3432 B9R0.55 CC(=O)OCCCC(=O)O MCULE-3807110432 [0,0,0,0,0,2|0,0,0]=2 3433 B9R0.55 CC(=O)OCCOC(=O)C MCULE-4333627796 [0,0,0,0,0,2|1,0,0]=3 3434 B9R0.55 CC(=O)SCCCC(=O)O MCULE-2047230148 [0,0,0,0,0,2|0,0,0]=2 3435 B9R0.55 CC(C)C=CCCC(=O)O MCULE-4916288990 [0,0,0,0,0,2|1,0,1]=4 3436 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,0,0,0,0,2|1,0,1]=4 3437 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,0,0,0,0,2|1,0,1]=4 3438 B9R0.55 CC(C)CCSCC(=O)O MCULE-6718693744 [0,0,0,0,0,2|1,0,1]=4 3439 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,0,0,0,0,2|1,0,1]=4 3440 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,0,0,0,0,2|1,0,1]=4 3441 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,0,0,0,0,2|1,0,1]=4 3442 B9R0.55 CC(C)CSCCC(=O)O MCULE-9529480904 [0,0,0,0,0,2|1,0,1]=4 3443 B9R0.55 CC(C)NCCCC(=O)O MCULE-4053268267 [0,0,0,0,0,2|1,0,1]=4 3444 B9R0.55 CC(C)NCCCC(=O)O MCULE-8505810240 [0,0,0,0,0,2|1,0,1]=4 3445 B9R0.55 CC(C)OCCCC(=O)O MCULE-8577811101 [0,0,0,0,0,2|1,0,1]=4 3446 B9R0.55 CC(C)SCCCC(=O)O MCULE-7082519548 [0,0,0,0,0,2|1,0,1]=4 3447 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,0,0,0,0,2|1,0,1]=4 3448 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,0,0,0,0,2|1,0,1]=4 3449 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,0,0,0,0,2|2,0,0]=4 3450 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,0,0,0,0,2|2,0,0]=4 3451 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,0,0,0,0,2|2,0,0]=4 3452 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,0,0,0,0,2|2,0,0]=4 3453 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,0,0,0,0,2|2,0,0]=4 3454 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,0,0,0,0,2|2,0,0]=4 3455 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,0,0,0,0,2|2,0,0]=4 3456 B9R0.55 N=C(N)NCCCC(=O)O MCULE-6633038701 [0,0,0,0,0,2|2,0,0]=4 3457 B9R0.55 NC(=O)CCCCC(=O)N MCULE-7701704987 [0,0,0,0,0,2|2,0,0]=4 3458 B9R0.55 NC(=O)CCCCC(=O)O MCULE-6793890356 [0,0,0,0,0,2|1,0,0]=3 3459 B9R0.55 NC(=O)CCNCC(=O)N MCULE-5287507547 [0,0,0,0,0,2|2,0,0]=4 3460 B9R0.55 NC(=O)CSCCC(=O)O MCULE-5092203912 [0,0,0,0,0,2|1,0,0]=3 3461 B9R0.55 NC(=O)NCCCC(=O)O MCULE-4986363363 [0,0,0,0,0,2|1,0,0]=3 3462 B9R0.55 O=C(Cl)CCCCC(=O)Cl MCULE-9846069486 [0,0,0,0,0,2|2,0,0]=4 3463 B9R0.55 O=C(Cl)OCCOC(=O)Cl MCULE-1003608194 [0,0,0,0,0,2|2,0,0]=4 3464 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,0,0,0,0,2|1,0,0]=3 3465 B9R0.55 O=C(O)C/C=C/CC(=O)O MCULE-6650386294 [0,0,0,0,0,2|1,0,0]=3 3466 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,0,0,0,0,2|1,0,0]=3 3467 B9R0.55 O=C(O)CC=CCC(=O)O MCULE-4878757775 [0,0,0,0,0,2|1,0,0]=3 3468 B9R0.55 O=C(O)CCCCC(=O)O MCULE-1336748609 [0,0,0,0,0,2|1,0,0]=3 3469 B9R0.55 O=C(O)CCCCC(=O)O MCULE-3664126855 [0,0,0,0,0,2|1,0,0]=3 3470 B9R0.55 O=C(O)CCCCC(=O)O MCULE-6331125687 [0,0,0,0,0,2|1,0,0]=3 3471 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7006255210 [0,0,0,0,0,2|1,0,0]=3 3472 B9R0.55 O=C(O)CCCCC(=O)O MCULE-7155960751 [0,0,0,0,0,2|1,0,0]=3 3473 B9R0.55 O=C(O)CNNCC(=O)O MCULE-8753369145 [0,0,0,0,0,2|1,0,0]=3 3474 B9R0.55 O=C(O)CSSCC(=O)O MCULE-1938189832 [0,0,0,0,0,2|1,0,0]=3 3475 B9R0.55 O=C(O)CSSCC(=O)O MCULE-2878758153 [0,0,0,0,0,2|1,0,0]=3 3476 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-3513522562 [0,0,0,0,0,2|1,0,0]=3 3477 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-5232497586 [0,0,0,0,0,2|1,0,0]=3 3478 B9R0.55 O=C([O-])CCCCC(=O)O MCULE-9724137457 [0,0,0,0,0,2|1,0,0]=3 3479 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-3830406639 [0,0,0,0,0,2|1,0,1]=4 3480 B9R0.55 O=C([O-])CCCCC(=O)[O-] MCULE-8364635624 [0,0,0,0,0,2|1,0,1]=4 3481 B9R0.55 [NH2+]=C(N)SCCNC(=O)C MCULE-9062257097 [0,0,0,0,0,2|2,0,0]=4