0 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.2 CC(C)CC(N)CN MCULE-3441513735 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.2 CC(C)CC(O)CN MCULE-9414833333 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.2 CC(C)CC(O)CN MCULE-9784331526 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.2 CC(CN)CC(F)F MCULE-2945792041 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.2 CC(CN)CC(F)F MCULE-5449897456 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.2 CC(CN)CN(C)C MCULE-4741402612 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,0,0,0,0|2,0,0]=2 37 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,0,0,0,0,0|2,0,0]=2 42 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,0,0,0,0,0|2,0,0]=2 45 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,0,0,0,0,0|1,0,0]=1 46 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.2 CCC(O)CN(C)C MCULE-5823673760 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,0,0,0,0|2,0,0]=2 55 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,0,0,0,0,0|2,0,0]=2 56 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,0,0,0,0,0|2,0,0]=2 57 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,0,0,0,0|2,0,0]=2 61 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,0,0,0,0,0|2,0,0]=2 65 B7R0.2 CN(C)CC(O)CCl MCULE-3657515294 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.2 CN(C)CC(O)CCl MCULE-8459273595 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.2 CN(C)CC(O)CN MCULE-7476161270 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.2 CN(C)CC(O)CN MCULE-8533203733 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.2 CN(C)CC(O)CO MCULE-3436894516 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.2 CN(C)C[C@@H](O)CO MCULE-7101033572 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.2 CN(C)C[C@H](O)CO MCULE-4297947949 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,0,0,0,0,0|4,0,0]=4 74 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,0,0,0,0,0|2,0,2]=4 75 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,0,0,0,0,0|4,0,0]=4 76 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,0,0,0,0,0|3,0,0]=3 78 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,0,0,0,0,0|3,0,0]=3 79 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,0,0,0,0,0|2,0,2]=4 80 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,0,0,0,0,0|3,0,0]=3 81 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,0,0,0,0,0|3,0,0]=3 82 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,0,0,0,0,0|1,0,0]=1 83 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,0,0,0,0,0|1,0,0]=1 84 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,0,0,0,0,0|2,0,2]=4 85 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,0,0,0,0,0|2,0,0]=2 87 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,0,0,0,0,0|2,0,0]=2 88 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,0,0,0,0,0|2,0,0]=2 89 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,0,0,0,0,0|1,0,0]=1 90 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,0,0,0,0,0|1,0,0]=1 91 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,0,0,0,0,0|0,0,0]=0 92 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,0,0,0,0,0|2,0,0]=2 93 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,0,0,0,0,0|2,0,0]=2 94 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,0,0,0,0,0|1,0,0]=1 95 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,0,0,0,0,0|1,0,0]=1 96 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,0,0,0,0,0|0,0,0]=0 97 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,0,0,0,0,0|0,0,0]=0 98 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,0,0,0,0,0|1,0,0]=1 99 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,0,0,0,0,0|1,0,0]=1 100 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,0,0,0,0,0|0,0,0]=0 101 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,0,0,0,0,0|0,0,0]=0 102 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,0,0,0,0,0|2,0,0]=2 103 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,0,0,0,0,0|2,0,0]=2 104 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,0,0,0,0,0|2,0,0]=2 105 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,0,0,0,0,0|2,0,0]=2 106 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,0,0,0,0,0|2,0,2]=4 107 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,0,0,0,0,0|2,0,2]=4 108 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,0,0,0,0,0|1,0,2]=3 109 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,0,0,0,0,0|1,0,2]=3 110 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,0,0,0,0,0|1,0,0]=1 111 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,0,0,0,0,0|1,0,0]=1 112 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,0,0,0,0,0|1,0,1]=2 113 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,0,0,0,0,0|1,0,1]=2 114 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,0,0,0,0,0|2,0,0]=2 116 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,0,0,0,0,0|2,0,1]=3 117 B6R0.1 C#CCC(O)CC MCULE-8783941008 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [1,0,0,0,0,0|1,0,2]=4 119 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [1,0,0,0,0,0|1,0,2]=4 120 B6R0.1 C=CCC(C)CC MCULE-8680856865 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.1 C=CCC(C)CO MCULE-9174943108 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.1 C=CCC(N)CC MCULE-2309097248 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.1 C=CCC(N)CC MCULE-8356954197 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.1 C=CCC(N)CO MCULE-3854217705 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.1 C=CCC(N)CO MCULE-6104194102 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.1 C=CCC(N)CO MCULE-6473126335 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.1 C=CCC(N)CO MCULE-8430673873 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.1 C=CCC(O)C=C MCULE-3803883413 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.1 C=CCC(O)CC MCULE-1497539816 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.1 C=CCC(O)CN MCULE-8237489732 [1,0,0,0,0,0|1,0,0]=2 131 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.1 CC(CN)CCN MCULE-2719332037 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.1 CC(CN)CCN MCULE-4200375624 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.1 CC(CN)CCO MCULE-5515163518 [1,0,0,0,0,0|1,0,1]=3 144 B6R0.1 CC(CO)CCO MCULE-5240961149 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.1 CC(CO)CCO MCULE-8678967805 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.1 CCC(C)CC=O MCULE-9143756592 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.1 CCC(C)CCO MCULE-6482427735 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.1 CCC(C)NC=O MCULE-2197007756 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.1 CCC(C)OC=O MCULE-9361787208 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.1 CCC(N)CCO MCULE-1511155206 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.1 CCC(N)CCO MCULE-5525302643 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.1 CCC(O)CC#N MCULE-2542710031 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.1 CCC(O)CCN MCULE-5387303971 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.1 CCC(O)CCO MCULE-5156075792 [1,0,0,0,0,0|1,0,1]=3 155 B6R0.1 CCC(O)CNC MCULE-2490431367 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.1 CCC(O)CNN MCULE-1038166714 [1,0,0,0,0,0|3,0,0]=4 157 B6R0.1 CCC(O)CNN MCULE-6391104058 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.1 CCC(O)COC MCULE-6751000060 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.1 CCC(O)CSC MCULE-3582683720 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.1 CCC(S)CCO MCULE-4193788852 [1,0,0,0,0,0|1,1,1]=4 161 B6R0.1 CCCC(C)CN MCULE-9552289739 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.1 CCCC(N)CN MCULE-8606218569 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.1 CCCC(O)CBr MCULE-5186252424 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.1 CCCC(O)CC MCULE-9504041935 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.1 CCCC(O)CCl MCULE-4737360217 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.1 CCCC(O)CN MCULE-9402934997 [1,0,0,0,0,0|1,0,1]=3 167 B6R0.1 CCCC(O)CO MCULE-5124107719 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.1 CC[C@@H](O)CC#N MCULE-5921416613 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.1 CC[C@@H](O)CC#N MCULE-8527710778 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.1 CNCC(C)CN MCULE-1889673811 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.1 CNCC(O)CF MCULE-3368370486 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.1 CNCC(O)CN MCULE-1077260629 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.1 CNCC(O)CO MCULE-4566952448 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.1 COC(C)CC=O MCULE-7243333697 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.1 COCC(C)CN MCULE-3223901774 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.1 COCC(F)CN MCULE-2821685967 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.1 COCC(F)CN MCULE-9691951401 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.1 COCC(N)CN MCULE-1244199319 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.1 COCC(O)CBr MCULE-6900294714 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.1 COCC(O)CCl MCULE-9314630227 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.1 COCC(O)CF MCULE-1938415887 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.1 COCC(O)CN MCULE-2044547388 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.1 COCC(O)CN MCULE-2145726384 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.1 COCC(O)CN MCULE-3637597204 [1,0,0,0,0,0|2,0,0]=3 190 B6R0.1 COCC(O)CO MCULE-1154104224 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [1,0,0,0,0,0|2,0,0]=3 192 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [1,0,0,0,0,0|2,0,0]=3 193 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [1,0,0,0,0,0|2,0,0]=3 194 B6R0.1 COC[C@H](F)CN MCULE-2663238018 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.1 CSC(C)CC=O MCULE-9433914892 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.1 CSCC(C)CN MCULE-4493405290 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.1 CSCC(O)CO MCULE-6573013078 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [1,0,0,0,0,0|2,0,1]=4 202 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.1 N#CCC(O)CCl MCULE-8450875181 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.1 N#CCC(O)CCl MCULE-8948452380 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.1 N#CC[C@@H](O)CCl MCULE-6554781206 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.1 N#CC[C@@H](O)CCl MCULE-7510135915 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.1 N#CC[C@H](O)CCl MCULE-4155359829 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.1 N#CC[C@H](O)CCl MCULE-9172368545 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.1 NC(CO)CCO MCULE-3703088648 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.1 NC(CO)CCO MCULE-7609576462 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.1 NCC(N)CCO MCULE-2965554481 [1,0,0,0,0,0|1,0,1]=3 212 B6R0.1 NCCC(F)CN MCULE-9478589176 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.1 NCCC(O)CN MCULE-9177974477 [1,0,0,0,0,0|1,0,1]=3 214 B6R0.1 NCCC(O)CO MCULE-2556586168 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [1,0,0,0,0,0|1,0,0]=2 220 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.1 OC(CCl)CCCl MCULE-5495327725 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.1 OCCC(O)CCl MCULE-4752952606 [1,0,0,0,0,0|1,0,1]=3 223 B6R0.1 OCCC(O)CO MCULE-6470178852 [1,0,0,0,0,0|1,0,1]=3 224 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [1,0,0,0,0,0|1,0,1]=3 226 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [1,0,0,0,0,0|1,0,1]=3 227 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [1,0,0,0,0,0|1,0,1]=3 228 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [1,0,0,0,0,0|1,0,1]=3 229 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [1,0,0,0,0,0|1,0,1]=3 230 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [1,0,0,0,0,0|1,0,1]=3 231 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [1,0,0,0,0,0|1,0,1]=3 232 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [1,0,0,0,0,0|3,0,0]=4 238 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [1,0,0,0,0,0|2,0,0]=3 239 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [1,0,0,0,0,0|2,0,0]=3 240 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,0,0,0,0,0|1,0,2]=4 241 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [1,0,0,0,0,0|1,0,2]=4 242 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [1,0,0,0,0,0|1,0,2]=4 243 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [1,0,0,0,0,0|1,0,2]=4 244 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [1,0,0,0,0,0|1,0,2]=4 245 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [1,0,0,0,0,0|1,0,2]=4 248 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,0,0,0,0,0|1,0,2]=4 249 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,0,0,0,0,0|1,0,2]=4 250 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,0,0,0,0,0|0,0,2]=3 251 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,0,0,0,0,0|0,0,3]=4 252 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,0,0,0,0,0|0,0,3]=4 253 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [1,0,0,0,0,0|2,0,0]=3 254 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [1,0,0,0,0,0|2,0,0]=3 255 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [1,0,0,0,0,0|2,0,0]=3 256 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,0,0,0,0,0|1,0,0]=2 257 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [1,0,0,0,0,0|3,0,0]=4 258 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [1,0,0,0,0,0|2,0,0]=3 259 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [1,0,0,0,0,0|2,0,0]=3 260 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [1,0,0,0,0,0|3,0,0]=4 261 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [1,0,0,0,0,0|3,0,0]=4 262 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [1,0,0,0,0,0|3,0,0]=4 263 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [1,0,0,0,0,0|3,0,0]=4 264 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,0,0,0,0,0|1,0,0]=2 265 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [1,0,0,0,0,0|2,1,0]=4 266 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [1,0,0,0,0,0|3,0,0]=4 268 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [1,0,0,0,0,0|3,0,0]=4 270 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [1,0,0,0,0,0|2,0,0]=3 271 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [1,0,0,0,0,0|2,0,0]=3 272 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,0,0,0,0,0|1,0,0]=2 273 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [1,0,0,0,0,0|2,1,0]=4 274 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [1,0,0,0,0,0|2,0,0]=3 285 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,0,0,0,0,0|1,0,0]=2 286 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,0,0,0,0,0|1,0,0]=2 288 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [1,0,0,0,0,0|2,0,0]=3 289 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [1,0,0,0,0,0|2,0,0]=3 290 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,0,0,0,0,0|1,0,0]=2 291 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,0,0,0,0,0|1,0,0]=2 292 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,0,0,0,0,0|1,0,0]=2 293 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,0,0,0,0,0|1,0,0]=2 294 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,0,0,0,0,0|1,0,0]=2 297 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,0,0,0,0,0|0,0,0]=1 298 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,0,0,0,0,0|0,0,0]=1 299 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,0,0,0,0,0|0,0,1]=2 300 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,0,0,0,0,0|0,0,1]=2 301 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [1,0,0,0,0,0|1,0,1]=3 302 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [1,0,0,0,0,0|1,0,1]=3 303 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [1,0,0,0,0,0|3,0,0]=4 305 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [1,0,0,0,0,0|3,0,0]=4 306 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [1,0,0,0,0,0|3,0,0]=4 308 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [1,0,0,0,0,0|3,0,0]=4 309 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [1,0,0,0,0,0|2,0,0]=3 311 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [1,0,0,0,0,0|2,0,0]=3 312 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,0,0,0,0,0|1,0,0]=2 314 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,0,0,0,0,0|1,0,0]=2 315 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,0,0,0,0,0|1,0,0]=2 316 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,0,0,0,0,0|1,0,0]=2 317 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,0,0,0,0,0|0,0,0]=1 318 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,0,0,0,0,0|0,0,0]=1 319 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,0,0,0,0,0|0,0,1]=2 320 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,0,0,0,0,0|0,0,1]=2 321 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [1,0,0,0,0,0|3,0,0]=4 322 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [1,0,0,0,0,0|3,0,0]=4 323 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [1,0,0,0,0,0|1,0,1]=3 324 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [1,0,0,0,0,0|1,0,1]=3 325 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [1,0,0,0,0,0|1,0,1]=3 326 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,0,0,0,0,0|1,0,0]=2 327 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,0,0,0,0,0|1,0,0]=2 328 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,0,0,0,0,0|1,0,0]=2 329 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,0,0,0,0,0|1,0,0]=2 330 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,0,0,0,0,0|1,0,0]=2 331 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,0,0,0,0,0|1,0,0]=2 332 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,0,0,0,0,0|0,0,0]=1 333 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,0,0,0,0,0|0,0,0]=1 334 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,0,0,0,0,0|0,0,1]=2 335 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,0,0,0,0,0|0,0,1]=2 336 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [1,0,0,0,0,0|3,0,0]=4 338 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [1,0,0,0,0,0|1,0,1]=3 339 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [1,0,0,0,0,0|1,0,1]=3 340 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [1,0,0,0,0,0|1,0,2]=4 344 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,0,0,0,0,0|0,0,2]=3 345 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [1,0,0,0,0,0|1,1,1]=4 346 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,0,0,0,0,0|1,0,0]=2 347 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,0,0,0,0,0|1,0,0]=2 348 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,0,0,0,0,0|1,0,1]=3 350 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,0,0,0,0,0|2,0,0]=3 351 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [1,0,0,0,0,0|2,0,1]=4 352 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|1,0,1]=3 356 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|1,0,2]=4 357 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|1,0,2]=4 358 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|1,0,2]=4 364 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|1,0,1]=3 368 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|1,0,2]=4 370 B6R0.4 CC(=CCCN)C MCULE-9185531904 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|1,0,2]=4 372 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,0]=3 374 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,0]=3 375 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|2,0,0]=3 376 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|3,0,0]=4 377 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|2,0,0]=3 378 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|3,0,0]=4 379 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|3,0,0]=4 380 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|3,0,0]=4 381 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|3,0,0]=4 382 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|2,0,0]=3 383 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|2,0,0]=3 384 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|3,0,0]=4 385 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|3,0,0]=4 386 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|2,0,0]=3 387 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|2,0,0]=3 388 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|2,0,0]=3 389 B6R0.4 CC(C)CCCN MCULE-2232715676 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.4 CC(C)CCCN MCULE-7121372197 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.4 CC(N)CCCN MCULE-4857113826 [1,0,0,0,0,0|2,0,1]=4 392 B6R0.4 CC(N)CCCN MCULE-4899798325 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|2,0,1]=4 394 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|2,0,1]=4 395 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|1,0,1]=3 396 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|1,0,2]=4 398 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|1,0,2]=4 399 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|1,0,2]=4 400 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|1,0,2]=4 401 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|2,0,1]=4 402 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|3,0,0]=4 403 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|3,0,0]=4 404 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|2,0,0]=3 405 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|2,0,0]=3 406 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|2,0,0]=3 407 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|2,0,0]=3 408 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|1,0,0]=2 409 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|1,0,1]=3 410 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|2,1,0]=4 411 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|2,0,1]=4 416 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|2,0,1]=4 417 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|2,0,1]=4 418 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|2,0,1]=4 419 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|3,0,0]=4 420 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|3,0,0]=4 421 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|3,0,0]=4 422 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|3,0,0]=4 423 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|3,0,0]=4 424 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|3,0,0]=4 425 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|3,0,0]=4 426 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|3,0,0]=4 427 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|3,0,0]=4 428 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|3,0,0]=4 429 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|3,0,0]=4 430 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|3,0,0]=4 431 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|2,0,0]=3 432 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|2,0,0]=3 433 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|3,0,0]=4 434 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|3,0,0]=4 435 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|2,0,0]=3 436 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|3,0,0]=4 437 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|2,0,0]=3 438 B6R0.4 CN(C)CCCN MCULE-3882436382 [1,0,0,0,0,0|3,0,0]=4 439 B6R0.4 CN(C)CCCN MCULE-4415270662 [1,0,0,0,0,0|3,0,0]=4 440 B6R0.4 CN(C)CCCN MCULE-4624916051 [1,0,0,0,0,0|3,0,0]=4 441 B6R0.4 CN(C)CCCN MCULE-4749435878 [1,0,0,0,0,0|3,0,0]=4 442 B6R0.4 CN(C)CCCN MCULE-9301668058 [1,0,0,0,0,0|3,0,0]=4 443 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|3,0,0]=4 444 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|3,0,0]=4 445 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|2,0,0]=3 446 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|2,0,0]=3 447 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|3,0,0]=4 448 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|3,0,0]=4 449 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|2,0,0]=3 451 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|2,0,0]=3 452 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|2,0,0]=3 453 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|3,0,0]=4 454 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|3,0,0]=4 455 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|3,0,0]=4 456 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|2,0,0]=3 457 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|3,0,0]=4 458 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|0,0,2]=3 460 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|1,0,2]=4 461 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.4 N=C(N)SCCN MCULE-1482556327 [1,0,0,0,0,0|3,0,0]=4 463 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,0]=3 464 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|2,0,0]=3 465 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|3,0,0]=4 466 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|3,0,0]=4 467 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|3,0,0]=4 468 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,0,0,0,0|3,0,0]=4 469 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|3,0,0]=4 470 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|2,1,0]=4 471 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|0,0,2]=3 472 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,0,0,0,0,0|0,0,2]=3 473 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|0,0,2]=3 474 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|0,0,2]=3 475 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|1,0,0]=2 476 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|1,0,0]=2 477 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|1,0,0]=2 478 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|1,0,0]=2 479 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|0,0,0]=1 480 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|0,0,0]=1 481 B6R0.4 NCCCC(F)F MCULE-3173114913 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.4 NCCCC(F)F MCULE-8441119601 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|2,0,0]=3 484 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|2,0,0]=3 485 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|2,0,0]=3 486 B6R0.4 NCCNC(=S)N MCULE-7473616024 [1,0,0,0,0,0|2,1,0]=4 487 B6R0.4 NCCNC(=S)N MCULE-7947010145 [1,0,0,0,0,0|2,1,0]=4 488 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,0,0,0,0|2,0,0]=3 490 B6R0.4 NCCON(=O)=O MCULE-1660868950 [1,0,0,0,0,0|2,0,1]=4 491 B6R0.4 NCCON(=O)=O MCULE-5781896981 [1,0,0,0,0,0|2,0,1]=4 492 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|1,0,0]=2 493 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|1,0,0]=2 494 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,0]=3 495 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,0]=3 496 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,0,0,0,0|3,0,0]=4 497 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,0,0,0,0|3,0,0]=4 498 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,0,0,0,0|3,0,0]=4 499 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,0,0,0,0|1,0,2]=4 500 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,0,0,0,0|1,0,2]=4 501 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|1,0,2]=4 502 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,0,0,0,0,0|1,0,2]=4 503 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,0,0,0,0,0|1,0,2]=4 504 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|1,0,2]=4 505 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,0,0,0,0|1,0,2]=4 506 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,0,0,0,0|1,0,2]=4 507 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|1,0,2]=4 508 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|1,0,0]=2 509 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|1,0,0]=2 510 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|1,0,0]=2 511 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|1,0,0]=2 512 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|1,0,0]=2 513 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|2,0,0]=3 514 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|1,0,1]=3 515 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|1,0,1]=3 517 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|2,0,1]=4 518 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,0,0,0,0,0|2,0,1]=4 519 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,0,0,0,0,0|2,0,1]=4 520 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|2,0,1]=4 521 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,1,0,0,0,0|2,0,0]=3 523 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,1,0,0,0,0|2,0,0]=3 524 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,1,0,0,0,0|1,0,2]=4 525 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,1,0,0,0,0|2,0,0]=3 527 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,1,0,0,0,0|3,0,0]=4 528 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,1,0,0,0,0|2,0,0]=3 529 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,1,0,0,0,0|3,0,0]=4 530 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,1,0,0,0,0|3,0,0]=4 531 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,1,0,0,0,0|2,0,0]=3 532 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,1,0,0,0,0|3,0,0]=4 533 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,1,0,0,0,0|2,0,0]=3 534 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,1,0,0,0,0|1,0,0]=2 535 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,1,0,0,0,0|1,0,0]=2 536 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,1,0,0,0,0|1,0,0]=2 537 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,1,0,0,0,0|3,0,0]=4 538 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,1,0,0,0,0|2,0,0]=3 540 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,1,0,0,0,0|2,0,0]=3 541 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,1,0,0,0,0|2,0,0]=3 542 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,1,0,0,0,0|2,0,0]=3 543 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,1,0,0,0,0|2,0,0]=3 544 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,1,0,0,0,0|1,0,0]=2 545 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,1,0,0,0,0|1,0,0]=2 546 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,1,0,0,0,0|1,0,0]=2 547 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,1,0,0,0,0|1,0,0]=2 548 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,1,0,0,0,0|2,0,0]=3 549 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,1,0,0,0,0|2,0,0]=3 551 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,1,0,0,0,0|2,0,0]=3 552 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,1,0,0,0,0|2,0,0]=3 553 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,1,0,0,0,0|2,0,0]=3 554 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,1,0,0,0,0|2,0,0]=3 557 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,1,0,0,0,0|2,0,0]=3 560 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,1,0,0,0,0|1,0,0]=2 562 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,1,0,0,0,0|1,0,0]=2 563 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,1,0,0,0,0|1,0,0]=2 564 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,1,0,0,0,0|1,0,0]=2 565 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,1,0,0,0,0|3,0,0]=4 570 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,1,0,0,0,0|3,0,0]=4 571 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,1,0,0,0,0|3,0,0]=4 572 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,1,0,0,0,0|3,0,0]=4 573 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,1,0,0,0,0|3,0,0]=4 574 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,1,0,0,0,0|3,0,0]=4 575 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,1,0,0,0,0|3,0,0]=4 577 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,1,0,0,0,0|1,0,0]=2 578 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,1,0,0,0,0|1,0,0]=2 579 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,1,0,0,0,0|1,0,0]=2 580 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [0,1,0,0,0,0|1,0,1]=3 581 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [0,1,0,0,0,0|1,0,1]=3 582 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [0,1,0,0,0,0|1,0,1]=3 583 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,1,0,0,0,0|3,0,0]=4 584 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,1,0,0,0,0|2,0,0]=3 586 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,1,0,0,0,0|2,0,0]=3 587 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,1,0,0,0,0|2,0,0]=3 588 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,1,0,0,0,0|2,0,0]=3 589 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,1,0,0,0,0|2,0,0]=3 590 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,1,0,0,0,0|2,0,0]=3 591 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,1,0,0,0,0|2,0,0]=3 592 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,1,0,0,0,0|2,0,0]=3 593 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,1,0,0,0,0|2,0,0]=3 594 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,1,0,0,0,0|1,0,1]=3 596 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,1,0,0,0,0|2,0,1]=4 597 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,1,0,0,0,0|2,0,0]=3 598 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,1,0,0,0,0|2,0,0]=3 599 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,1,0,0,0,0|2,0,0]=3 600 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,1,0,0,0,0|2,0,0]=3 601 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,1,0,0,0,0|2,0,0]=3 602 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,1,0,0,0,0|2,0,0]=3 603 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,1,0,0,0,0|2,0,0]=3 605 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,1,0,0,0,0|2,0,0]=3 606 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,1,0,0,0,0|2,0,0]=3 607 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,1,0,0,0,0|2,0,0]=3 609 B8R0.5 CC(O)CC(O)CCO MCULE-4888514297 [0,1,0,0,0,0|2,0,1]=4 610 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,1,0,0,0,0|1,0,1]=3 611 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,1,0,0,0,0|1,0,2]=4 612 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,1,0,0,0,0|2,0,0]=3 614 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,1,0,0,0,0|2,0,0]=3 615 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,1,0,0,0,0|2,0,0]=3 616 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,1,0,0,0,0|2,0,0]=3 617 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,1,0,0,0,0|2,0,0]=3 618 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,1,0,0,0,0|1,0,0]=2 619 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,1,0,0,0,0|2,0,0]=3 623 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,1,0,0,0,0|2,0,0]=3 624 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,1,0,0,0,0|2,0,0]=3 625 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,1,0,0,0,0|2,0,0]=3 626 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,1,0,0,0,0|2,0,0]=3 627 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,1,0,0,0,0|1,0,2]=4 628 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,1,0,0,0,0|1,0,2]=4 631 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,1,0,0,0,0|2,0,0]=3 632 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,1,0,0,0,0|0,0,0]=1 634 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,1,0,0,0,0|0,0,0]=1 635 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,1,0,0,0,0|2,0,0]=3 636 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,1,0,0,0,0|0,0,0]=1 637 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,1,0,0,0,0|0,0,0]=1 638 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,1,0,0,0,0|2,0,0]=3 639 B8R0.16 CC(=O)NC(CO)CO MCULE-5276694510 [0,1,0,0,0,0|3,0,0]=4 640 B8R0.16 CC(C)CC(CN)CO MCULE-7916297233 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.16 CCC(CC(=O)N)OC MCULE-9685044533 [0,1,0,0,0,0|2,0,0]=3 642 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,1,0,0,0,0|1,0,0]=2 643 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [0,1,0,0,0,0|1,1,0]=3 644 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [0,1,0,0,0,0|2,0,0]=3 647 B8R0.16 CCC(CO)NC(=O)C MCULE-9868176705 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [0,1,0,0,0,0|3,0,0]=4 650 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-2664687963 [0,1,0,0,0,0|3,0,0]=4 651 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-6485833206 [0,1,0,0,0,0|3,0,0]=4 652 B8R0.16 COC(CC(=O)C)OC MCULE-4638877505 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.16 COC(CC(=O)N)OC MCULE-8599636273 [0,1,0,0,0,0|3,0,0]=4 654 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [0,1,0,0,0,0|2,0,0]=3 655 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,1,0,0,0,0|0,0,0]=1 656 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,1,0,0,0,0|0,0,0]=1 657 B8R0.16 COC(CN)CC(C)C MCULE-1093186897 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,1,0,0,0,0|0,0,0]=1 659 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,1,0,0,0,0|1,0,0]=2 660 B8R0.19 C=C(CCl)CC(=O)OC MCULE-3436182948 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,1,0,0,0,0|1,0,2]=4 662 B8R0.19 CCC(=O)CC(C)CC MCULE-8568086135 [0,1,0,0,0,0|3,0,0]=4 663 B8R0.19 CCC(C)CC(=O)OC MCULE-6040162942 [0,1,0,0,0,0|2,0,0]=3 664 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,1,0,0,0,0|2,0,0]=3 665 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,1,0,0,0,0|2,0,0]=3 666 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,1,0,0,0,0|2,0,0]=3 667 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,1,0,0,0,0|2,0,0]=3 669 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,1,0,0,0,0|1,0,0]=2 670 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,1,0,0,0,0|1,0,0]=2 671 B8R0.19 CC[C@@H](O)C[C@H](O)CC MCULE-8992338479 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,1,0,0,0,0|2,0,0]=3 673 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,1,0,0,0,0|2,0,0]=3 674 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,1,0,0,0,0|2,0,0]=3 675 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,1,0,0,0,0|2,0,0]=3 676 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,1,0,0,0,0|1,0,0]=2 677 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,1,0,0,0,0|1,0,0]=2 678 B8R0.19 CC[C@H](O)C[C@@H](O)CC MCULE-4286526192 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.19 CNC(C)CC(=O)OC MCULE-1039195486 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.19 COC(=O)CC(=O)CCl MCULE-1683633113 [0,1,0,0,0,0|1,0,2]=4 681 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.19 COC(=O)CC(C)CBr MCULE-9170421446 [0,1,0,0,0,0|2,0,0]=3 683 B8R0.19 COC(=O)CC(C)SC MCULE-9425584839 [0,1,0,0,0,0|3,0,0]=4 684 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,1,0,0,0,0|1,0,0]=2 685 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,1,0,0,0,0|1,0,0]=2 686 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,1,0,0,0,0|2,0,0]=3 687 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,1,0,0,0,0|2,0,0]=3 688 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,1,0,0,0,0|1,0,0]=2 689 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,1,0,0,0,0|0,0,0]=1 690 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,1,0,0,0,0|0,0,0]=1 691 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,1,0,0,0,0|1,0,0]=2 692 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,1,0,0,0,0|1,0,0]=2 693 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,1,0,0,0,0|1,0,0]=2 694 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,1,0,0,0,0|1,0,0]=2 695 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,1,0,0,0,0|1,0,0]=2 696 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,1,0,0,0,0|1,0,0]=2 697 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,1,0,0,0,0|1,0,0]=2 698 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,1,0,0,0,0|1,0,0]=2 699 B8R0.19 COC(=O)NC(C)CN MCULE-4563927308 [0,1,0,0,0,0|2,0,0]=3 700 B8R0.19 COC(=O)NC(C)CN MCULE-8813177733 [0,1,0,0,0,0|2,0,0]=3 701 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-1533957902 [0,1,0,0,0,0|2,0,0]=3 702 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-7036214898 [0,1,0,0,0,0|2,0,0]=3 703 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-8908212489 [0,1,0,0,0,0|2,0,0]=3 704 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-9526857370 [0,1,0,0,0,0|2,0,0]=3 705 B8R0.19 NNC(=O)CC(O)CCl MCULE-4502390137 [0,1,0,0,0,0|2,0,0]=3 706 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,1,0,0,0,0|1,0,0]=2 707 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,1,0,0,0,0|2,0,0]=3 708 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,0|1,0,1]=3 710 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [0,1,0,0,0,0|1,0,0]=2 715 B8R0.23 CC(=O)NC(O)C(Cl)Cl MCULE-3137859785 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,0,0,0,0|1,0,2]=4 717 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,0|2,0,0]=3 718 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,0|2,0,0]=3 719 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,0|2,0,0]=3 720 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,0|2,0,0]=3 721 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,0|2,0,0]=3 722 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,0|1,0,0]=2 723 B8R0.23 CC(C)C(O)CN(=O)=O MCULE-7181992102 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.23 CC(C)CC(O)C(C)N MCULE-5726380235 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,0|2,0,0]=3 728 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,0|2,0,0]=3 729 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,0|2,0,0]=3 730 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,0|2,0,0]=3 731 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,0|1,0,0]=2 732 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,0|2,0,0]=3 733 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,0|2,0,0]=3 734 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,0|2,0,0]=3 735 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,0|2,0,0]=3 736 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [0,1,0,0,0,0|2,0,0]=3 739 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,1,0,0,0,0|3,0,0]=4 740 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,1,0,0,0,0|3,0,0]=4 741 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,0|2,0,0]=3 742 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,0|2,0,0]=3 743 B8R0.23 CC(O)CC(O)C(C)C MCULE-5906290473 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,1,0,0,0,0|3,0,0]=4 751 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,0|2,0,0]=3 752 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,0|2,0,0]=3 753 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,0|2,0,0]=3 754 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,0|2,0,0]=3 755 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,0|2,0,0]=3 756 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,0|2,0,0]=3 757 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,1,0,0,0,0|3,0,0]=4 760 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,0|2,0,0]=3 761 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|1,0,1]=3 762 B8R0.23 NC(=O)C[C@@H](N)C(=O)N MCULE-7126009795 [0,1,0,0,0,0|2,0,1]=4 763 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-3049784970 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-6209092318 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-7482170747 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.23 NC(=O)C[C@H](N)C(=O)N MCULE-8939291995 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|1,0,1]=3 769 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|1,0,1]=3 770 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|1,0,1]=3 771 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|1,0,1]=3 772 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|1,0,1]=3 773 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|1,0,1]=3 774 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.23 O=C(O)CC(=O)C(F)F MCULE-6579310267 [0,1,0,0,0,0|1,0,2]=4 783 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|2,0,1]=4 786 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|1,0,1]=3 787 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|1,0,1]=3 788 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|1,0,1]=3 789 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|1,1,1]=4 790 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|1,0,1]=3 793 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|1,0,1]=3 794 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|1,0,1]=3 798 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|1,0,1]=3 799 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,0|1,0,1]=3 800 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|1,1,1]=4 801 B8R0.23 O=N(=O)CC(O)C(F)F MCULE-7432236471 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.24 CC(C)(C)CC(O)CN MCULE-2797135905 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.24 CC(CN)OS(=O)(=O)O MCULE-9745181089 [0,1,0,0,0,0|3,0,0]=4 806 B8R0.24 CCC(O)CS(=O)(=O)[O-] MCULE-4924854624 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.24 CCC(O)CS(=O)(=O)[O-] MCULE-6879658750 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.24 CP(=O)(O)CC(O)CN MCULE-3493831461 [0,1,0,0,0,0|1,0,0]=2 809 B8R0.24 CP(=O)(O)C[C@H](O)CN MCULE-7311439053 [0,1,0,0,0,0|1,0,0]=2 810 B8R0.24 CS(=O)(=O)CC(O)CN MCULE-4408894368 [0,1,0,0,0,0|1,0,1]=3 811 B8R0.24 CS(=O)(=O)CC(O)CN MCULE-7118457962 [0,1,0,0,0,0|1,0,1]=3 812 B8R0.24 O=S(=O)(O)CC(O)CCl MCULE-8756434458 [0,1,0,0,0,0|2,0,0]=3 813 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [0,1,0,0,0,0|2,0,0]=3 814 B8R0.24 O=S(=O)(O)CC(S)CS MCULE-5302170766 [0,1,0,0,0,0|2,1,0]=4 815 B8R0.24 O=S(=O)([O-])CC(O)CCl MCULE-4631056121 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [0,1,0,0,0,0|1,0,1]=3 817 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [0,1,0,0,0,0|1,0,1]=3 818 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,1,0,0,0,0|1,0,1]=3 822 B8R0.34 CC(C)(C#N)CC(=O)O MCULE-3389391069 [0,1,0,0,0,0|1,0,2]=4 823 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [0,1,0,0,0,0|2,0,0]=3 824 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [0,1,0,0,0,0|1,0,0]=2 825 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [0,1,0,0,0,0|1,0,0]=2 826 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,1,0,0,0,0|2,0,0]=3 827 B8R0.34 CC(C)(CO)CC(=O)[O-] MCULE-9214676521 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,1,0,0,0,0|0,0,0]=1 829 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,1,0,0,0,0|0,0,0]=1 830 B8R0.34 CC(O)CC(C)(C)CN MCULE-3349093711 [0,1,0,0,0,0|2,0,1]=4 831 B8R0.34 CC(O)CC(C)(C)CN MCULE-7091343982 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.34 CCC(C)(C)CC(=O)C MCULE-9050476347 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [0,1,0,0,0,0|2,0,0]=3 834 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,1,0,0,0,0|1,0,0]=2 835 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [0,1,0,0,0,0|2,0,0]=3 836 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.34 CN(C)CC(C)(O)CN MCULE-8502250073 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.34 COC(C)(C)CC(=O)O MCULE-3953307849 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [0,1,0,0,0,0|1,0,0]=2 840 B8R0.34 O=C(O)CP(=O)(O)OO MCULE-4846368706 [0,1,0,0,0,0|3,0,0]=4 841 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,0,0,1,0,0|3,0,0]=4 842 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,0,0,1,0,0|2,0,0]=3 843 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,0,0,1,0,0|2,0,0]=3 844 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,0,0,1,0,0|2,0,1]=4 845 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,0,0,1,0,0|2,0,1]=4 846 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,0,0,1,0,0|2,0,1]=4 847 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,0,0,1,0,0|2,0,1]=4 848 B8R1.1 CC1=NOC(C1)CBr MCULE-4979515850 [0,0,0,1,0,0|3,0,0]=4 849 B8R1.1 CC1=NOC(C1)CCl MCULE-1284024148 [0,0,0,1,0,0|3,0,0]=4 850 B8R1.1 CC1=NOC(C1)CN MCULE-6359035571 [0,0,0,1,0,0|2,0,0]=3 851 B8R1.1 CC1=NOC(C1)CN MCULE-8767310256 [0,0,0,1,0,0|2,0,0]=3 852 B8R1.1 CC1=NOC(C1)CO MCULE-8599237142 [0,0,0,1,0,0|3,0,0]=4 853 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,0,0,1,0,0|2,0,0]=3 854 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,0,0,1,0,0|3,0,0]=4 855 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,0,0,1,0,0|3,0,0]=4 856 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,0,0,1,0,0|2,0,0]=3 857 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,0,0,1,0,0|3,0,0]=4 858 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,0,0,1,0,0|3,0,0]=4 859 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,0,0,1,0,0|3,0,0]=4 860 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,0,0,1,0,0|3,0,0]=4 861 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,0,0,1,0,0|3,0,0]=4 862 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,0,0,1,0,0|3,0,0]=4 863 B8R1.1 NCC1=CC(=NO1)O MCULE-5314463544 [0,0,0,1,0,0|1,0,2]=4 864 B8R1.1 NCC1=CC(=O)NO1 MCULE-1130806657 [0,0,0,1,0,0|1,0,2]=4 865 B8R1.1 NCC1=NC(=O)ON1 MCULE-1736493364 [0,0,0,1,0,0|2,0,1]=4 866 B8R1.1 NCC1=NC(=O)ON1 MCULE-9797025169 [0,0,0,1,0,0|2,0,1]=4 867 B8R1.1 NCC1=NNC(=O)C1 MCULE-8086231553 [0,0,0,1,0,0|2,0,1]=4 868 B8R1.1 NCC1CC(=NO1)Br MCULE-2454032123 [0,0,0,1,0,0|2,0,0]=3 869 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,0,0,1,0,0|3,0,0]=4 870 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,0,0,1,0,0|3,0,0]=4 871 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,0,0,1,0,0|3,0,0]=4 872 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,0,0,1,0,0|3,0,0]=4 873 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,0,0,1,0,0|3,0,0]=4 874 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,0,0,1,0,0|3,0,0]=4 875 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [0,0,0,1,0,0|2,0,1]=4 876 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [0,0,0,1,0,0|2,0,1]=4 877 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,0,0,1,0,0|2,0,0]=3 878 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,0,0,1,0,0|2,0,0]=3 879 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,0,0,1,0,0|2,0,0]=3 880 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,0,0,1,0,0|3,0,0]=4 881 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,0,0,1,0,0|3,0,0]=4 882 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,0,0,1,0,0|2,0,0]=3 883 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,0,0,1,0,0|2,0,0]=3 884 B8R1.1 NCC1C[C@H](CN1)O MCULE-1428185082 [0,0,0,1,0,0|2,0,1]=4 885 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,0,0,1,0,0|3,0,0]=4 886 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,0,0,1,0,0|3,0,0]=4 887 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,0,0,1,0,0|3,0,0]=4 888 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,0,0,1,0,0|3,0,0]=4 889 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [0,0,0,1,0,0|2,0,1]=4 890 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [0,0,0,1,0,0|2,0,1]=4 891 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,0,0,1,0,0|2,0,0]=3 892 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,0,0,1,0,0|2,0,0]=3 893 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,0,0,1,0,0|2,0,0]=3 894 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,0,0,1,0,0|2,0,0]=3 895 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,0,0,1,0,0|3,0,0]=4 896 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,0,0,1,0,0|3,0,0]=4 897 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,0,0,1,0,0|3,0,0]=4 898 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,0,0,1,0,0|3,0,0]=4 899 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,0,0,1,0,0|3,0,0]=4 900 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,0,0,1,0,0|3,0,0]=4 901 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,0,0,1,0,0|3,0,0]=4 902 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,0,0,1,0,0|3,0,0]=4 903 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [0,0,0,1,0,0|2,0,1]=4 904 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [0,0,0,1,0,0|2,0,1]=4 905 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [0,0,0,1,0,0|2,0,1]=4 906 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [0,0,0,1,0,0|2,0,1]=4 907 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,0,0,1,0,0|2,0,0]=3 908 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,0,0,1,0,0|2,0,0]=3 909 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,0,0,1,0,0|2,0,0]=3 910 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,0,0,1,0,0|2,0,0]=3 911 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,0,0,1,0,0|3,0,0]=4 912 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,0,0,1,0,0|3,0,0]=4 913 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,0,0,1,0,0|3,0,0]=4 914 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,0,0,1,0,0|3,0,0]=4 915 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,0,0,1,0,0|2,0,0]=3 916 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,0,0,1,0,0|2,0,0]=3 917 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,0,0,1,0,0|3,0,0]=4 918 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,0,0,1,0,0|3,0,0]=4 919 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,0,0,1,0,0|2,0,0]=3 920 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,0,0,1,0,0|3,0,0]=4 921 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,0,0,1,0,0|3,0,0]=4 922 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,0,0,1,0,0|3,0,0]=4 923 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,0,0,1,0,0|3,0,0]=4 924 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,0,0,1,0,0|3,0,0]=4 925 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,0,0,1,0,0|3,0,0]=4 926 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,0,0,1,0,0|3,0,0]=4 927 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,0,0,1,0,0|3,0,0]=4 928 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,0,0,1,0,0|3,0,0]=4 929 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,0,0,1,0,0|3,0,0]=4 930 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,0,0,1,0,0|3,0,0]=4 931 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,0,0,1,0,0|3,0,0]=4 932 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,0,0,1,0,0|3,0,0]=4 933 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,0,0,1,0,0|3,0,0]=4 934 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,0,0,1,0,0|3,0,0]=4 935 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,0,0,1,0,0|3,0,0]=4 936 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,0,0,1,0,0|3,0,0]=4 937 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,0,0,1,0,0|3,0,0]=4 938 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,0,0,1,0,0|3,0,0]=4 939 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,0,0,1,0,0|2,0,1]=4 940 B8R1.1 OC1COC(C1)CI MCULE-9241971646 [0,0,0,1,0,0|2,0,1]=4 941 B8R1.1 OCC1CC(CO1)O MCULE-4648895678 [0,0,0,1,0,0|2,0,1]=4 942 B8R1.1 OC[C@@H]1C[C@@H](CO1)O MCULE-7875239623 [0,0,0,1,0,0|2,0,1]=4 943 B8R1.1 OC[C@H]1C[C@@H](CO1)O MCULE-5801561749 [0,0,0,1,0,0|2,0,1]=4 944 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4197376814 [0,0,0,1,0,0|2,0,1]=4 945 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4573543387 [0,0,0,1,0,0|2,0,1]=4 946 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,0,0,1,0,0|2,0,1]=4 947 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,1,0,0|3,0,0]=4 948 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [0,0,0,1,0,0|2,0,1]=4 949 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,1,0,0|3,0,0]=4 950 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,1,0,0|3,0,0]=4 951 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,1,0,0|3,0,0]=4 952 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,1,0,0|2,0,0]=3 953 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,1,0,0|3,0,0]=4 954 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,1,0,0|3,0,0]=4 955 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,1,0,0|3,0,0]=4 956 B8R1.4 CC1CNCC(C1)O MCULE-3984160340 [0,0,0,1,0,0|2,0,1]=4 957 B8R1.4 CC1CNCC(C1)O MCULE-8485435970 [0,0,0,1,0,0|2,0,1]=4 958 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,1,0,0|3,0,0]=4 959 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,1,0,0|3,0,0]=4 960 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,1,0,0|3,0,0]=4 961 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,1,0,0|3,0,0]=4 962 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,1,0,0|3,0,0]=4 963 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,1,0,0|3,0,0]=4 964 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,1,0,0|3,0,0]=4 965 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,1,0,0|3,0,0]=4 966 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [0,0,0,1,0,0|2,0,1]=4 967 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,1,0,0|3,0,0]=4 968 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,1,0,0|3,0,0]=4 969 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,1,0,0|3,0,0]=4 970 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,1,0,0|3,0,0]=4 971 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,1,0,0|3,0,0]=4 972 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,1,0,0|3,0,0]=4 973 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,1,0,0|3,0,0]=4 974 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [0,0,0,1,0,0|2,0,1]=4 975 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [0,0,0,1,0,0|2,0,1]=4 976 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,1,0,0|3,0,0]=4 977 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,1,0,0|3,0,0]=4 978 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,1,0,0|3,0,0]=4 979 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,1,0,0|3,0,0]=4 980 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,1,0,0|3,0,0]=4 981 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,1,0,0|3,0,0]=4 982 B8R1.4 NC1CNCC(C1)O MCULE-6920221467 [0,0,0,1,0,0|2,0,1]=4 983 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,1,0,0|3,0,0]=4 984 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,1,0,0|3,0,0]=4 985 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,1,0,0|3,0,0]=4 986 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,1,0,0|3,0,0]=4 987 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,1,0,0|3,0,0]=4 988 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,1,0,0|3,0,0]=4 989 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,1,0,0|3,0,0]=4 990 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,1,0,0|3,0,0]=4 991 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,1,0,0|3,0,0]=4 992 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,1,0,0|3,0,0]=4 993 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,1,0,0|3,0,0]=4 994 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,1,0,0|3,0,0]=4 995 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,1,0,0|2,0,0]=3 996 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,1,0,0|2,0,0]=3 997 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,1,0,0|2,0,0]=3 998 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,1,0,0|2,0,0]=3 999 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,0,0,1,0,0|1,0,2]=4 1000 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,0,0,1,0,0|1,0,2]=4 1001 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,0,0,1,0,0|1,0,2]=4 1002 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,1,0,0|2,0,0]=3 1003 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,1,0,0|2,0,0]=3 1004 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,1,0,0|2,0,0]=3 1005 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,1,0,0|2,0,0]=3 1006 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,1,0,0|2,0,0]=3 1007 B8R1.4 OC1CCCC(C1)O MCULE-5377622416 [0,0,0,1,0,0|2,0,1]=4 1008 B8R1.4 OC1CNCC(C1)O MCULE-1197120974 [0,0,0,1,0,0|1,0,1]=3 1009 B8R1.4 OC1CNCC(C1)O MCULE-4759581472 [0,0,0,1,0,0|1,0,1]=3 1010 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-1135108851 [0,0,0,1,0,0|2,0,1]=4 1011 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-4488851523 [0,0,0,1,0,0|2,0,1]=4 1012 B8R1.4 O[C@@H]1CNC[C@@H](C1)F MCULE-1439853464 [0,0,0,1,0,0|2,0,1]=4 1013 B8R1.4 O[C@@H]1CNC[C@@H](C1)F MCULE-9096067151 [0,0,0,1,0,0|2,0,1]=4 1014 B8R1.4 O[C@@H]1CNC[C@@H](C1)O MCULE-1294085941 [0,0,0,1,0,0|1,0,1]=3 1015 B8R1.4 O[C@@H]1CNC[C@@H](C1)O MCULE-3774231585 [0,0,0,1,0,0|1,0,1]=3 1016 B8R1.4 O[C@@H]1CNC[C@H](C1)O MCULE-5630014959 [0,0,0,1,0,0|1,0,1]=3 1017 B8R1.4 O[C@@H]1CNC[C@H](C1)O MCULE-8096152429 [0,0,0,1,0,0|1,0,1]=3 1018 B8R1.4 O[C@H]1CCC[C@@H](C1)O MCULE-4718573149 [0,0,0,1,0,0|2,0,1]=4 1019 B8R1.4 O[C@H]1CCC[C@H](C1)O MCULE-9402957017 [0,0,0,1,0,0|2,0,1]=4 1020 B8R1.4 O[C@H]1CNC[C@@H](C1)O MCULE-3635256197 [0,0,0,1,0,0|1,0,1]=3 1021 B8R1.4 O[C@H]1CNC[C@@H](C1)O MCULE-7162868831 [0,0,0,1,0,0|1,0,1]=3 1022 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,0,0,1,0,0|2,0,1]=4 1023 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,0,0,1,0,0|2,0,0]=3 1024 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,0,0,1,0,0|2,0,0]=3 1025 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,0,0,1,0,0|2,0,0]=3 1026 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,0,0,1,0,0|3,0,0]=4 1027 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,0,0,1,0,0|1,0,2]=4 1028 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,0,0,1,0,0|3,0,0]=4 1029 B8R1.18 CN1CC(C(C1)O)N MCULE-2599335817 [0,0,0,1,0,0|3,0,0]=4 1030 B8R1.18 CN1CC(C(C1)O)N MCULE-6847369546 [0,0,0,1,0,0|3,0,0]=4 1031 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-2486938322 [0,0,0,1,0,0|3,0,0]=4 1032 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-5836595032 [0,0,0,1,0,0|3,0,0]=4 1033 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-6830124811 [0,0,0,1,0,0|3,0,0]=4 1034 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-9514040195 [0,0,0,1,0,0|3,0,0]=4 1035 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-3812148649 [0,0,0,1,0,0|3,0,0]=4 1036 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-5853867679 [0,0,0,1,0,0|3,0,0]=4 1037 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-7840416361 [0,0,0,1,0,0|3,0,0]=4 1038 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-8395934464 [0,0,0,1,0,0|3,0,0]=4 1039 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,0,0,1,0,0|2,0,0]=3 1040 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,0,0,1,0,0|2,0,1]=4 1041 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,0,0,1,0,0|2,0,0]=3 1042 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,0,0,1,0,0|2,0,1]=4 1043 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,0,0,1,0,0|2,0,1]=4 1044 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,0,0,1,0,0|2,0,1]=4 1045 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,0,0,1,0,0|2,0,1]=4 1046 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,0,0,1,0,0|2,0,1]=4 1047 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,0,0,1,0,0|2,0,1]=4 1048 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,0,0,1,0,0|2,0,1]=4 1049 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,0,0,1,0,0|2,0,1]=4 1050 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,0,0,1,0,0|1,0,2]=4 1051 B8R1.18 O=C1NC(C(N1)O)O MCULE-4925329931 [0,0,0,1,0,0|3,0,0]=4 1052 B8R1.18 O=C1OC(C(O1)Cl)Cl MCULE-2346794223 [0,0,0,1,0,0|3,0,0]=4 1053 B8R1.18 O=C1O[C@@H]([C@H](O1)F)F MCULE-7614704509 [0,0,0,1,0,0|3,0,0]=4 1054 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,0|2,0,0]=3 1055 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,0,0,1,0,0|3,0,0]=4 1056 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,0,0,1,0,0|2,0,1]=4 1057 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,0,0,1,0,0|3,0,0]=4 1058 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,0,0,1,0,0|2,0,0]=3 1059 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,0,0,1,0,0|1,0,0]=2 1060 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,0,0,1,0,0|3,0,0]=4 1061 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,0,0,1,0,0|3,0,0]=4 1062 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,0,0,1,0,0|3,0,0]=4 1063 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,0,0,1,0,0|3,0,0]=4 1064 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,0,0,1,0,0|3,0,0]=4 1065 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,0,0,1,0,0|3,0,0]=4 1066 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,0,0,1,0,0|1,0,0]=2 1067 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,0,0,1,0,0|1,0,0]=2 1068 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,0,0,1,0,0|3,0,0]=4 1069 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,0,0,1,0,0|3,0,0]=4 1070 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,0,0,1,0,0|2,0,0]=3 1071 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,0,0,1,0,0|2,0,0]=3 1072 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,0,0,1,0,0|2,0,0]=3 1073 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,0,0,1,0,0|2,0,0]=3 1074 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,0,0,1,0,0|2,0,0]=3 1075 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,0,0,1,0,0|2,0,0]=3 1076 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,0,0,1,0,0|2,0,0]=3 1077 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,0,0,1,0,0|2,0,0]=3 1078 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,0,0,1,0,0|2,0,0]=3 1079 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,0,0,1,0,0|2,0,0]=3 1080 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,0,0,1,0,0|2,0,0]=3 1081 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,0,0,1,0,0|2,0,0]=3 1082 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,0,0,1,0,0|2,0,0]=3 1083 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,0,0,1,0,0|1,0,0]=2 1084 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,0,0,1,0,0|1,0,0]=2 1085 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,0,0,1,0,0|1,0,0]=2 1086 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,0,0,1,0,0|2,0,0]=3 1087 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,0,0,1,0,0|2,0,0]=3 1088 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,0,0,1,0,0|2,0,0]=3 1089 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,0,0,1,0,0|2,0,0]=3 1090 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,0,0,1,0,0|1,0,0]=2 1091 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,0,0,1,0,0|3,0,0]=4 1092 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,0,0,1,0,0|3,0,0]=4 1093 B8R1.34 CC(=O)NC1CNC1 MCULE-8262716671 [0,0,0,1,0,0|3,0,0]=4 1094 B8R1.34 CC(=O)NC1CNC1 MCULE-9475906960 [0,0,0,1,0,0|3,0,0]=4 1095 B8R1.34 CC(=O)OC1CNC1 MCULE-1464943134 [0,0,0,1,0,0|3,0,0]=4 1096 B8R1.34 CC(=O)OC1CNC1 MCULE-2801618495 [0,0,0,1,0,0|3,0,0]=4 1097 B8R1.34 CC(=O)OC1CNC1 MCULE-5204587569 [0,0,0,1,0,0|3,0,0]=4 1098 B8R1.34 CC(=O)SC1CNC1 MCULE-7804874855 [0,0,0,1,0,0|3,0,0]=4 1099 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [0,0,0,1,0,0|2,0,0]=3 1100 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [0,0,0,1,0,0|2,0,0]=3 1101 B8R1.34 NC(=O)OC1CNC1 MCULE-1968679475 [0,0,0,1,0,0|3,0,0]=4 1102 B8R1.34 NC(=O)OC1CNC1 MCULE-9969958473 [0,0,0,1,0,0|3,0,0]=4 1103 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,0,0,1,0,0|3,0,0]=4 1104 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,0,0,1,0,0|2,0,0]=3 1105 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,0,0,1,0,0|2,0,0]=3 1106 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,0,0,1,0,0|1,0,0]=2 1107 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,0,0,1,0,0|1,0,0]=2 1108 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,0,0,1,0,0|1,0,0]=2 1109 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,0,0,1,0,0|1,0,0]=2 1110 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,0,0,1,0,0|2,0,0]=3 1111 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,0,0,1,0,0|2,0,0]=3 1112 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,0,0,1,0,0|3,0,0]=4 1113 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,0,0,1,0,0|3,0,0]=4 1114 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [0,0,0,1,0,0|2,0,1]=4 1115 B8R1.42 CC(=O)CC1(CC1)C MCULE-3117561505 [0,0,0,1,0,0|3,0,0]=4 1116 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [0,0,0,1,0,0|2,0,0]=3 1117 B8R1.42 CC1(N=N1)CC(=O)O MCULE-1987955811 [0,0,0,1,0,0|2,0,1]=4 1118 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,0,0,1,0,0|2,0,0]=3 1119 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,0,0,1,0,0|2,0,0]=3 1120 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,0,0,1,0,0|1,0,0]=2 1121 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,0,0,1,0,0|2,0,1]=4 1122 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,0,0,1,0,0|2,0,1]=4 1123 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,0,0,1,0,0|2,0,1]=4 1124 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,0,0,1,0,0|2,0,1]=4 1125 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,0,0,1,0,0|2,0,1]=4 1126 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,0,0,1,0,0|2,0,1]=4 1127 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,0,0,1,0,0|2,0,1]=4 1128 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,0,0,1,0,0|2,0,0]=3 1129 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,0,0,1,0,0|2,0,0]=3 1130 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,0,0,1,0,0|3,0,0]=4 1131 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,0,0,1,0,0|1,0,2]=4 1132 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,0,0,1,0,0|1,0,2]=4 1133 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,0,0,1,0,0|1,0,2]=4 1134 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,0,0,1,0,0|1,0,2]=4 1135 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,0,0,1,0,0|1,0,2]=4 1136 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,0,0,1,0,0|3,0,0]=4 1137 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,0,0,1,0,0|1,0,0]=2 1138 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,0,0,1,0,0|1,0,0]=2 1139 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,0,0,1,0,0|1,0,0]=2 1140 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,0,0,1,0,0|2,0,0]=3 1141 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,0,0,1,0,0|2,0,0]=3 1142 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,0,0,1,0,0|2,0,0]=3 1143 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,0,0,1,0,0|2,0,0]=3 1144 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,0,0,1,0,0|2,0,0]=3 1145 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,0,0,1,0,0|2,0,0]=3 1146 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,0,0,1,0,0|1,0,2]=4 1147 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,0,0,1,0,0|1,0,2]=4 1148 B8R1.51 CC1(CC(CN1)O)C MCULE-5350721787 [0,0,0,1,0,0|2,0,1]=4 1149 B8R1.51 CC1(C[C@@H](CN1)O)C MCULE-2169130789 [0,0,0,1,0,0|2,0,1]=4 1150 B8R1.51 CC1(C[C@@H](CN1)O)C MCULE-9189212857 [0,0,0,1,0,0|2,0,1]=4 1151 B8R1.51 CC1CNS(=O)(=O)C1 MCULE-2299608411 [0,0,0,1,0,0|2,0,1]=4 1152 B8R1.51 O=S1(=O)CCC(C1)O MCULE-3784616685 [0,0,0,1,0,0|2,0,1]=4 1153 B8R1.53 CC1(CC(C1)CN)O MCULE-7937499181 [0,0,0,1,0,0|2,0,1]=4 1154 B8R1.53 CC1(CC(C1)CN)O MCULE-8215295434 [0,0,0,1,0,0|2,0,1]=4 1155 B8R1.53 CC1(CC(O1)CN)C MCULE-2171021070 [0,0,0,1,0,0|2,0,1]=4 1156 B8R1.53 CC1(C[C@@H](O1)CN)C MCULE-2255864352 [0,0,0,1,0,0|2,0,1]=4 1157 B8R1.53 C[C@@]1(C[C@H](C1)CN)O MCULE-2105482458 [0,0,0,1,0,0|2,0,1]=4 1158 B8R1.53 C[C@@]1(C[C@H](C1)CN)O MCULE-8687149478 [0,0,0,1,0,0|2,0,1]=4 1159 B8R1.53 NCC1CS(=O)(=O)C1 MCULE-8319652338 [0,0,0,1,0,0|2,0,1]=4 1160 B8R1.53 NCC1CS(=O)(=O)C1 MCULE-9564522493 [0,0,0,1,0,0|2,0,1]=4 1161 B8R1.53 [C@@H]1(C[C@](C1)(C)O)CN MCULE-6495615071 [0,0,0,1,0,0|2,0,1]=4 1162 B8R1.53 [C@@H]1(C[C@](C1)(C)O)CN MCULE-8603898788 [0,0,0,1,0,0|2,0,1]=4 1163 B8R1.62 CC1(CC(=O)C1)CO MCULE-4643412830 [0,0,0,1,0,0|3,0,0]=4 1164 B8R1.62 CC1(CC(=O)N1)CCl MCULE-7182920776 [0,0,0,1,0,0|3,0,0]=4 1165 B8R1.62 CN1CC(C1)(O)CN MCULE-1778534111 [0,0,0,1,0,0|3,0,0]=4 1166 B8R1.62 CN1CC(C1)(O)CN MCULE-8887268668 [0,0,0,1,0,0|3,0,0]=4 1167 B8R1.62 NCC1(CC(C1)F)O MCULE-4423697087 [0,0,0,1,0,0|2,0,1]=4 1168 B8R1.62 NCC1(CC(C1)F)O MCULE-7519542842 [0,0,0,1,0,0|2,0,1]=4 1169 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [0,0,0,1,0,0|2,0,0]=3 1170 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,0,0,0,1,0|1,0,1]=3 1171 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,0,0,0,1,0|3,0,0]=4 1172 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,0,0,0,1,0|3,0,0]=4 1173 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,0,0,0,1,0|3,0,0]=4 1174 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,0,0,0,1,0|1,0,2]=4 1175 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,0,0,0,1,0|2,0,1]=4 1176 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,0,0,0,1,0|2,0,1]=4 1177 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,0,0,0,1,0|2,0,1]=4 1178 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,0,0,1,0|2,0,1]=4 1179 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,0,0,1,0|2,0,1]=4 1180 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,0,0,1,0|2,0,1]=4 1181 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,0,0,1,0|2,0,1]=4 1182 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,0,0,1,0|2,0,1]=4 1183 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,0,0,0,1,0|1,0,1]=3 1184 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,0,0,1,0|2,0,1]=4 1185 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,0,0,1,0|2,0,1]=4 1186 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,0,0,1,0|2,0,1]=4 1187 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,0,0,1,0|2,0,1]=4 1188 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,0,0,1,0|2,0,1]=4 1189 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,0,0,1,0|2,0,1]=4 1190 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,0,0,1,0|2,0,1]=4 1191 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,0,0,1,0|2,0,1]=4 1192 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,0,0,1,0|2,0,1]=4 1193 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,0,0,1,0|2,0,1]=4 1194 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,0,0,1,0|2,0,1]=4 1195 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,0,0,0,1,0|3,0,0]=4 1196 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,0,0,0,1,0|3,0,0]=4 1197 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,0,0,0,1,0|3,0,0]=4 1198 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,0,0,0,1,0|1,0,2]=4 1199 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [0,0,0,0,1,0|2,0,1]=4 1200 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [0,0,0,0,1,0|2,0,1]=4 1201 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,0,0,0,1,0|2,0,0]=3 1202 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,0,0,1,0|2,0,0]=3 1203 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,0,0,0,1,0|1,0,0]=2 1204 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,0,0,0,1,0|1,0,0]=2 1205 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,0,0,0,1,0|3,0,0]=4 1206 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,0,0,0,1,0|2,0,0]=3 1207 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,0,0,0,1,0|2,0,1]=4 1208 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,0,0,0,1,0|2,0,0]=3 1209 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,0,0,0,1,0|2,0,1]=4 1210 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,0,0,0,1,0|2,0,1]=4 1211 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,0,0,0,1,0|2,0,1]=4 1212 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,0,0,0,1,0|1,0,1]=3 1213 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,0,0,0,1,0|2,0,1]=4 1214 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,0,0,0,1,0|2,0,0]=3 1215 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,0,0,0,1,0|2,0,0]=3 1216 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,0,0,0,1,0|2,0,0]=3 1217 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,0,0,0,1,0|2,0,0]=3 1218 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,0,0,0,1,0|1,0,2]=4 1219 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,0,0,0,1,0|1,0,2]=4 1220 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,0,0,0,1,0|3,0,0]=4 1221 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,0,0,0,1,0|3,0,0]=4 1222 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,0,0,0,1,0|3,0,0]=4 1223 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,0,0,0,1,0|3,0,0]=4 1224 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,0,0,0,1,0|2,0,0]=3 1225 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,0,0,0,1,0|3,0,0]=4 1226 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,0,0,0,1,0|3,0,0]=4 1227 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,0,0,1,0|3,0,0]=4 1228 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,0,0,0,1,0|2,0,0]=3 1229 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,0,0,0,1,0|2,0,0]=3 1230 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,0,0,0,1,0|3,0,0]=4 1231 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,0,0,0,1,0|3,0,0]=4 1232 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,0,0,0,1,0|2,0,0]=3 1233 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,0,0,0,1,0|2,0,0]=3 1234 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,0,0,0,1,0|3,0,0]=4 1235 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,0,0,0,1,0|3,0,0]=4 1236 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,0,0,0,1,0|3,0,0]=4 1237 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,0,0,0,1,0|3,0,0]=4 1238 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,0,0,0,1,0|2,0,0]=3 1239 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,0,0,0,1,0|2,0,0]=3 1240 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,0,0,0,1,0|2,0,0]=3 1241 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,0,0,0,1,0|2,0,0]=3 1242 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,0,0,0,1,0|2,0,0]=3 1243 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,0,0,0,1,0|1,0,0]=2 1244 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,0,0,0,1,0|1,0,0]=2 1245 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,0,0,0,1,0|1,0,1]=3 1246 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,0,0,0,1,0|1,0,1]=3 1247 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,0,0,0,1,0|2,0,1]=4 1248 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,0,0,0,1,0|2,1,0]=4 1249 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,0,0,0,1,0|1,1,0]=3 1250 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,0,0,0,1,0|3,0,0]=4 1251 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,0,0,0,1,0|2,0,0]=3 1252 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,0,0,0,1,0|2,0,0]=3 1253 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,0,0,1,0|3,0,0]=4 1254 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,0,0,1,0|3,0,0]=4 1255 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,0,0,0,1,0|2,0,0]=3 1256 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,0,0,0,1,0|2,0,0]=3 1257 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,0,0,0,1,0|2,0,0]=3 1258 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,0,0,0,1,0|2,0,0]=3 1259 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,0,0,0,1,0|3,0,0]=4 1260 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,0,0,0,1,0|3,0,0]=4 1261 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,0,0,0,1,0|3,0,0]=4 1262 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,0,0,0,1,0|3,0,0]=4 1263 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,0,0,0,1,0|2,0,0]=3 1264 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,0,0,0,1,0|2,0,0]=3 1265 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,0,0,0,1,0|2,0,0]=3 1266 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,0,0,0,1,0|2,0,0]=3 1267 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,0,0,0,1,0|1,0,0]=2 1268 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,0,0,0,1,0|1,0,0]=2 1269 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,0,0,0,1,0|2,0,0]=3 1270 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,0,0,0,1,0|2,0,0]=3 1271 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,0,0,0,1,0|2,0,0]=3 1272 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,0,0,0,1,0|2,0,0]=3 1273 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,0,0,0,1,0|2,0,0]=3 1274 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,0,0,0,1,0|3,0,0]=4 1275 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,0,0,0,1,0|3,0,0]=4 1276 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,0,0,0,1,0|3,0,0]=4 1277 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,0,0,0,1,0|3,0,0]=4 1278 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,0,0,0,1,0|2,0,0]=3 1279 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,0,0,0,1,0|2,0,0]=3 1280 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,0,0,0,1,0|2,0,0]=3 1281 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,0,0,0,1,0|2,0,0]=3 1282 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,0,0,0,1,0|2,1,0]=4 1283 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,0,0,0,1,0|2,1,0]=4 1284 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,0,0,0,1,0|1,0,0]=2 1285 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,0,0,0,1,0|1,0,0]=2 1286 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,0,0,0,1,0|1,0,1]=3 1287 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,0,0,0,1,0|3,0,0]=4 1288 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,0,0,0,1,0|3,0,0]=4 1289 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,0,0,0,1,0|3,0,0]=4 1290 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,0,0,0,1,0|3,0,0]=4 1291 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,0,0,0,1,0|3,0,0]=4 1292 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,0,0,0,1,0|3,0,0]=4 1293 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,0,0,0,1,0|3,0,0]=4 1294 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,0,0,0,1,0|3,0,0]=4 1295 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,0,0,0,1,0|3,0,0]=4 1296 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,0,0,0,1,0|3,0,0]=4 1297 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,0,0,0,1,0|3,0,0]=4 1298 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,0,0,0,1,0|3,0,0]=4 1299 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,0,0,0,1,0|3,0,0]=4 1300 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,0,0,0,1,0|3,0,0]=4 1301 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,0,0,0,1,0|3,0,0]=4 1302 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,0,0,0,1,0|3,0,0]=4 1303 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,0,0,0,1,0|3,0,0]=4 1304 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,0,0,0,1,0|1,0,0]=2 1305 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,0,0,0,1,0|1,0,0]=2 1306 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,0,0,0,1,0|1,0,0]=2 1307 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,0,0,0,1,0|1,0,0]=2 1308 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,0,0,0,1,0|2,0,0]=3 1309 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,0,0,0,1,0|2,0,0]=3 1310 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,0,0,0,1,0|2,0,0]=3 1311 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,0,0,0,1,0|2,0,0]=3 1312 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,0,0,0,1,0|1,0,0]=2 1313 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,0,0,0,1,0|1,0,0]=2 1314 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,0,0,0,1,0|1,0,0]=2 1315 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,0,0,0,1,0|1,0,0]=2 1316 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,0,0,0,1,0|2,0,0]=3 1317 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,0,0,0,1,0|2,0,0]=3 1318 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,0,0,0,1,0|2,0,1]=4 1319 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,0,0,0,1,0|2,0,0]=3 1320 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,0,0,0,1,0|2,0,0]=3 1321 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,0,0,0,1,0|3,0,0]=4 1322 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,0,0,0,1,0|3,0,0]=4 1323 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,0,0,0,1,0|3,0,0]=4 1324 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,0,0,0,1,0|3,0,0]=4 1325 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,0,0,0,1,0|3,0,0]=4 1326 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,0,0,0,1,0|3,0,0]=4 1327 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,0,0,0,1,0|3,0,0]=4 1328 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,0,0,0,1,0|3,0,0]=4 1329 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,0,0,0,1,0|3,0,0]=4 1330 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,0,0,0,1,0|3,0,0]=4 1331 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,0,0,0,1,0|3,0,0]=4 1332 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,0,0,0,1,0|3,0,0]=4 1333 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,0,0,0,1,0|3,0,0]=4 1334 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,0,0,0,1,0|3,0,0]=4 1335 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,0,0,0,1,0|2,0,0]=3 1336 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,0,0,0,1,0|2,0,0]=3 1337 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,0,0,0,1,0|2,0,0]=3 1338 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,0,0,1,0|2,0,0]=3 1339 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,0,0,0,1,0|2,0,0]=3 1340 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,0,0,0,1,0|2,0,0]=3 1341 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,0,0,0,1,0|2,0,0]=3 1342 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,0,0,0,1,0|2,0,0]=3 1343 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,0,0,0,1,0|2,0,0]=3 1344 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,0,0,0,1,0|2,0,0]=3 1345 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,0,0,0,1,0|1,0,0]=2 1346 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,0,0,0,1,0|1,0,0]=2 1347 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,0,0,0,1,0|1,0,0]=2 1348 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,0,0,0,1,0|1,0,0]=2 1349 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,0,0,0,1,0|1,0,0]=2 1350 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,0,0,0,1,0|1,0,0]=2 1351 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,0,0,0,1,0|1,0,0]=2 1352 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,0,0,0,1,0|1,0,0]=2 1353 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,0,0,0,1,0|1,0,0]=2 1354 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,0,0,0,1,0|1,0,0]=2 1355 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,0,0,0,1,0|1,0,0]=2 1356 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,0,0,0,1,0|0,0,0]=1 1357 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,0,0,0,1,0|0,0,0]=1 1358 B6R0.3 NCC(O)C(F)F MCULE-3263599594 [0,0,0,0,1,0|2,0,1]=4 1359 B6R0.3 NCC(O)C(F)F MCULE-6925242752 [0,0,0,0,1,0|2,0,1]=4 1360 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,0,0,0,1,0|1,0,0]=2 1361 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,0,0,0,1,0|1,0,0]=2 1362 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,0,0,0,1,0|1,0,0]=2 1363 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,0,0,0,1,0|1,0,0]=2 1364 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,0,0,0,1,0|1,0,0]=2 1365 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,0,0,0,1,0|1,0,0]=2 1366 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,0,0,0,1,0|1,0,0]=2 1367 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,0,0,0,1,0|0,0,0]=1 1368 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,0,0,0,1,0|0,0,0]=1 1369 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,0,0,0,1,0|1,0,0]=2 1370 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,0,0,0,1,0|1,0,0]=2 1371 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,0,0,0,1,0|1,0,0]=2 1372 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,0,0,0,1,0|1,0,0]=2 1373 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,0,0,0,1,0|1,0,0]=2 1374 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,0,0,0,1,0|1,0,0]=2 1375 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,0,0,0,1,0|1,0,0]=2 1376 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,0,0,0,1,0|1,0,0]=2 1377 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,0,0,0,1,0|1,0,0]=2 1378 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,0,0,0,1,0|1,0,0]=2 1379 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,0,0,0,1,0|0,0,0]=1 1380 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,0,0,0,1,0|0,0,0]=1 1381 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,0,0,0,1,0|2,0,0]=3 1382 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,0,0,0,1,0|2,0,0]=3 1383 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,0,0,0,1,0|2,0,0]=3 1384 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,0,0,0,1,0|2,0,0]=3 1385 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,0,0,0,1,0|2,0,0]=3 1386 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,0,0,0,1,0|2,0,0]=3 1387 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,0,0,0,1,0|2,0,0]=3 1388 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,0,0,0,1,0|2,0,0]=3 1389 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,0,0,0,1,0|2,0,0]=3 1390 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,0,0,0,1,0|2,0,0]=3 1391 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,0,0,0,1,0|2,0,0]=3 1392 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,0,0,0,1,0|2,0,0]=3 1393 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,0,0,0,1,0|2,0,0]=3 1394 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,0,0,0,1,0|2,0,0]=3 1395 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,0,0,0,1,0|2,0,0]=3 1396 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,0,0,0,1,0|2,0,0]=3 1397 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,0,0,1,0|2,0,0]=3 1398 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,0,0,1,0|2,0,0]=3 1399 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,0,0,0,1,0|2,0,0]=3 1400 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,0,0,0,1,0|2,0,0]=3 1401 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,0,0,0,1,0|2,0,0]=3 1402 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,0,0,0,1,0|2,0,0]=3 1403 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,0,0,0,1,0|2,0,0]=3 1404 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,0,0,0,1,0|2,0,0]=3 1405 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,0,0,0,1,0|3,0,0]=4 1406 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,0,0,0,1,0|3,0,0]=4 1407 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,0,0,0,1,0|1,0,2]=4 1408 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,0,0,0,1,0|1,0,2]=4 1409 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,0,0,0,1,0|1,0,2]=4 1410 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,0,0,1,0|1,0,2]=4 1411 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,0,0,0,1,0|1,0,2]=4 1412 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,0,0,0,1,0|2,0,0]=3 1413 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,0,0,0,1,0|2,0,0]=3 1414 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,0,0,0,1,0|2,0,0]=3 1415 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,0,0,0,1,0|2,0,0]=3 1416 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,0,0,0,1,0|2,0,0]=3 1417 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,0,0,0,1,0|2,0,0]=3 1418 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,0,0,0,1,0|1,0,0]=2 1419 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,0,0,0,1,0|1,0,0]=2 1420 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,0,0,0,1,0|1,0,0]=2 1421 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,0,0,0,1,0|2,0,0]=3 1422 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,0,0,0,1,0|2,0,0]=3 1423 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,0,0,0,1,0|1,0,0]=2 1424 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,0,0,0,1,0|1,0,0]=2 1425 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,0,0,0,1,0|1,0,0]=2 1426 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,0,0,0,1,0|2,0,0]=3 1427 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,0,0,0,1,0|2,0,0]=3 1428 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,0,0,1,0|1,0,0]=2 1429 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,0,0,0,1,0|1,0,1]=3 1430 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,0,0,1,0|2,0,1]=4 1431 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,0,0,0,1,0|1,0,0]=2 1432 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,0,0,0,1,0|3,0,0]=4 1433 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,0,0,0,1,0|3,0,0]=4 1434 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,0,0,0,1,0|1,1,0]=3 1435 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,0,0,0,1,0|2,0,0]=3 1436 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,0,0,0,0,1|2,0,1]=4 1437 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,0,0,0,0,1|2,0,1]=4 1438 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,0,0,0,0,1|2,0,1]=4 1439 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,0,0,0,0,1|2,0,1]=4 1440 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,0,0,0,0,1|2,0,1]=4 1441 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,0,0,0,0,1|2,0,0]=3 1442 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,0,0,0,0,1|2,0,0]=3 1443 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,0,0,0,0,1|2,0,0]=3 1444 B8R0.9 CC(=O)OCC(C)CBr MCULE-5776578434 [0,0,0,0,0,1|3,0,0]=4 1445 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,0,0,0,0,1|3,0,0]=4 1446 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,0,0,0,0,1|3,0,0]=4 1447 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,0,0,0,0,1|2,0,0]=3 1448 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,0,0,0,0,1|2,0,0]=3 1449 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,0,0,0,0,1|3,0,0]=4 1450 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,0,0,0,0,1|3,0,0]=4 1451 B8R0.9 CC(=O)SCC(C)CCl MCULE-2266172098 [0,0,0,0,0,1|3,0,0]=4 1452 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,0,0,0,0,1|1,0,2]=4 1453 B8R0.9 CC(C)OCC(O)CN MCULE-4268894257 [0,0,0,0,0,1|2,0,1]=4 1454 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,0,0,0,0,1|3,0,0]=4 1455 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,0,0,0,0,1|2,0,1]=4 1456 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,0,0,0,0,1|1,0,2]=4 1457 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,0,0,0,0,1|1,0,2]=4 1458 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,0,0,0,0,1|3,0,0]=4 1459 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,0,0,0,0,1|2,0,0]=3 1460 B8R0.9 CCC(C)COC(=O)C MCULE-1846190306 [0,0,0,0,0,1|3,0,0]=4 1461 B8R0.9 CCC(C)COC(=O)Cl MCULE-7986633908 [0,0,0,0,0,1|3,0,0]=4 1462 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,0,0,0,0,1|2,0,0]=3 1463 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,0,0,0,0,1|2,0,0]=3 1464 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,0,0,0,0,1|2,0,0]=3 1465 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,0,0,0,0,1|3,0,0]=4 1466 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,0,0,0,0,1|2,0,0]=3 1467 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,0,0,0,0,1|2,0,0]=3 1468 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,0,0,0,0,1|1,0,0]=2 1469 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,0,0,0,0,1|1,0,1]=3 1470 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,0,0,0,0,1|3,0,0]=4 1471 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,0,0,0,0,1|3,0,0]=4 1472 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,0,0,0,0,1|2,0,1]=4 1473 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,0,0,0,0,1|2,0,1]=4 1474 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,0,0,0,0,1|3,0,0]=4 1475 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,0,0,0,0,1|3,0,0]=4 1476 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,0,0,0,0,1|0,0,2]=3 1477 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,0,0,0,0,1|0,0,2]=3 1478 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,0,0,0,0,1|0,0,2]=3 1479 B8R0.9 NCC(=O)NCC(=O)N MCULE-8386571025 [0,0,0,0,0,1|1,0,2]=4 1480 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,0,0,0,0,1|0,0,2]=3 1481 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,0,0,0,0,1|0,0,2]=3 1482 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,0,0,0,0,1|1,0,0]=2 1483 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,0,0,0,0,1|1,0,0]=2 1484 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,0,0,0,0,1|1,0,0]=2 1485 B8R0.9 NNC(=O)CCC(=O)O MCULE-7643180740 [0,0,0,0,0,1|1,0,2]=4 1486 B8R0.9 NNC(=O)CCC(=O)O MCULE-9888193887 [0,0,0,0,0,1|1,0,2]=4 1487 B8R0.9 NNC(=O)NCC(=O)O MCULE-6013763993 [0,0,0,0,0,1|1,0,2]=4 1488 B8R0.9 NNC(=O)NCC(=O)O MCULE-8104731063 [0,0,0,0,0,1|1,0,2]=4 1489 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,0,0,0,0,1|2,0,0]=3 1490 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,0,0,0,0,1|2,0,0]=3 1491 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,0,0,0,0,1|1,0,2]=4 1492 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,0,0,0,0,1|2,0,1]=4 1493 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,0,0,0,0,1|1,0,2]=4 1494 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,0,0,0,0,1|1,0,2]=4 1495 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 1496 B5R0.1 C#CCC(C)O MCULE-2487589857 [2,0,0,0,0,0|1,0,1]=4 1497 B5R0.1 C(C)(N)CCO MCULE-5545469271 [2,0,0,0,0,0|1,0,1]=4 1498 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,2]=4 1499 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [2,0,0,0,0,0|1,0,1]=4 1500 B5R0.1 C=C(Br)CCO MCULE-3743908958 [2,0,0,0,0,0|2,0,0]=4 1501 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|2,0,0]=4 1502 B5R0.1 C=C(C)CCN MCULE-4037025602 [2,0,0,0,0,0|2,0,0]=4 1503 B5R0.1 C=C(C)CCN MCULE-5001503744 [2,0,0,0,0,0|2,0,0]=4 1504 B5R0.1 C=C(C)CCO MCULE-2689800711 [2,0,0,0,0,0|2,0,0]=4 1505 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,2]=4 1506 B5R0.1 C=CCC(C)Br MCULE-5638987302 [2,0,0,0,0,0|2,0,0]=4 1507 B5R0.1 C=CCC(C)C MCULE-4586731422 [2,0,0,0,0,0|2,0,0]=4 1508 B5R0.1 C=CCC(C)N MCULE-5354228552 [2,0,0,0,0,0|2,0,0]=4 1509 B5R0.1 C=CCC(C)N MCULE-9454660067 [2,0,0,0,0,0|2,0,0]=4 1510 B5R0.1 C=CCC(C)O MCULE-7724200334 [2,0,0,0,0,0|1,0,0]=3 1511 B5R0.1 C=CCC(C)O MCULE-9910771503 [2,0,0,0,0,0|1,0,0]=3 1512 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [2,0,0,0,0,0|1,0,0]=3 1513 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [2,0,0,0,0,0|1,0,0]=3 1514 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [2,0,0,0,0,0|2,0,0]=4 1515 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [2,0,0,0,0,0|2,0,0]=4 1516 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [2,0,0,0,0,0|1,0,0]=3 1517 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [2,0,0,0,0,0|1,0,0]=3 1518 B5R0.1 CC#CC(=O)O MCULE-9994142213 [2,0,0,0,0,0|0,0,2]=4 1519 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|2,0,0]=4 1520 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|2,0,0]=4 1521 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|1,0,0]=3 1522 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|1,0,0]=3 1523 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|1,0,0]=3 1524 B5R0.1 CC(=O)NCO MCULE-4563335540 [2,0,0,0,0,0|2,0,0]=4 1525 B5R0.1 CC(C)CC=O MCULE-2939497534 [2,0,0,0,0,0|1,0,0]=3 1526 B5R0.1 CC(C)CCO MCULE-7411270401 [2,0,0,0,0,0|1,0,1]=4 1527 B5R0.1 CC(C)NC=O MCULE-1764010394 [2,0,0,0,0,0|2,0,0]=4 1528 B5R0.1 CC(C)OC=O MCULE-8263698122 [2,0,0,0,0,0|2,0,0]=4 1529 B5R0.1 CC(Cl)CCO MCULE-1955496242 [2,0,0,0,0,0|1,0,1]=4 1530 B5R0.1 CC(N)CCO MCULE-1771399942 [2,0,0,0,0,0|1,0,1]=4 1531 B5R0.1 CC(N)CCO MCULE-7239872808 [2,0,0,0,0,0|1,0,1]=4 1532 B5R0.1 CC(O)CC#N MCULE-7172428142 [2,0,0,0,0,0|1,0,1]=4 1533 B5R0.1 CC(O)CCBr MCULE-7983169885 [2,0,0,0,0,0|1,0,1]=4 1534 B5R0.1 CC(O)CCCl MCULE-2952545606 [2,0,0,0,0,0|1,0,1]=4 1535 B5R0.1 CC(O)CCN MCULE-6836791276 [2,0,0,0,0,0|1,0,1]=4 1536 B5R0.1 CC(O)CCN MCULE-7186260925 [2,0,0,0,0,0|1,0,1]=4 1537 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|0,0,1]=3 1538 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|0,0,1]=3 1539 B5R0.1 CC(O)CNN MCULE-4956670781 [2,0,0,0,0,0|2,0,0]=4 1540 B5R0.1 CC(O)CNN MCULE-7917439573 [2,0,0,0,0,0|2,0,0]=4 1541 B5R0.1 CC(O)CON MCULE-1051091134 [2,0,0,0,0,0|2,0,0]=4 1542 B5R0.1 CC(O)CON MCULE-6722092589 [2,0,0,0,0,0|2,0,0]=4 1543 B5R0.1 CC(S)CCO MCULE-5702212503 [2,0,0,0,0,0|0,1,1]=4 1544 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,2]=4 1545 B5R0.1 CC=CC(C)O MCULE-4806592836 [2,0,0,0,0,0|1,0,1]=4 1546 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|1,0,1]=4 1547 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|2,0,0]=4 1548 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|2,0,0]=4 1549 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,0]=3 1550 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,0]=3 1551 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,0]=3 1552 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,0]=2 1553 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,1]=3 1554 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,1]=3 1555 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|1,1,0]=4 1556 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,0]=3 1557 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,1]=4 1558 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|1,0,1]=4 1559 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|1,0,1]=4 1560 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|1,0,1]=4 1561 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|1,0,1]=4 1562 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,1]=4 1563 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,1]=4 1564 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|2,0,0]=4 1565 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 1566 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|2,0,0]=4 1567 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|2,0,0]=4 1568 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|2,0,0]=4 1569 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|2,0,0]=4 1570 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|2,0,0]=4 1571 B5R0.1 CN(C)CC=O MCULE-1229218563 [2,0,0,0,0,0|2,0,0]=4 1572 B5R0.1 CN(C)CC=O MCULE-3577561950 [2,0,0,0,0,0|2,0,0]=4 1573 B5R0.1 CN(C)CC=O MCULE-4493766862 [2,0,0,0,0,0|2,0,0]=4 1574 B5R0.1 CN(C)CC=O MCULE-8123455398 [2,0,0,0,0,0|2,0,0]=4 1575 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|2,0,0]=4 1576 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|2,0,0]=4 1577 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|2,0,0]=4 1578 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|2,0,0]=4 1579 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|2,0,0]=4 1580 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|1,0,0]=3 1581 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|1,0,0]=3 1582 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|1,0,1]=4 1583 B5R0.1 CNCC(C)O MCULE-3671071529 [2,0,0,0,0,0|2,0,0]=4 1584 B5R0.1 CNCC(C)O MCULE-4171705304 [2,0,0,0,0,0|2,0,0]=4 1585 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [2,0,0,0,0,0|2,0,0]=4 1586 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [2,0,0,0,0,0|2,0,0]=4 1587 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [2,0,0,0,0,0|2,0,0]=4 1588 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [2,0,0,0,0,0|2,0,0]=4 1589 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [2,0,0,0,0,0|2,0,0]=4 1590 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [2,0,0,0,0,0|2,0,0]=4 1591 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|2,0,0]=4 1592 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|2,0,0]=4 1593 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|2,0,0]=4 1594 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,0]=3 1595 B5R0.1 COCC(C)O MCULE-4022733014 [2,0,0,0,0,0|2,0,0]=4 1596 B5R0.1 COCC(C)O MCULE-7513310960 [2,0,0,0,0,0|2,0,0]=4 1597 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [2,0,0,0,0,0|2,0,0]=4 1598 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [2,0,0,0,0,0|2,0,0]=4 1599 B5R0.1 COC[C@H](C)O MCULE-5908531683 [2,0,0,0,0,0|2,0,0]=4 1600 B5R0.1 COC[C@H](C)O MCULE-8619138238 [2,0,0,0,0,0|2,0,0]=4 1601 B5R0.1 CS(=O)CCN MCULE-6497874560 [2,0,0,0,0,0|2,0,0]=4 1602 B5R0.1 CS(=O)CCN MCULE-8275663766 [2,0,0,0,0,0|2,0,0]=4 1603 B5R0.1 CS(=O)CCN MCULE-8330490290 [2,0,0,0,0,0|2,0,0]=4 1604 B5R0.1 CS(=O)CCO MCULE-8331553582 [2,0,0,0,0,0|2,0,0]=4 1605 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|2,0,0]=4 1606 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|2,0,0]=4 1607 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|2,0,0]=4 1608 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,0]=3 1609 B5R0.1 CSCC(C)O MCULE-2227652351 [2,0,0,0,0,0|2,0,0]=4 1610 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [2,0,0,0,0,0|1,0,1]=4 1611 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [2,0,0,0,0,0|1,0,1]=4 1612 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [2,0,0,0,0,0|1,0,1]=4 1613 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [2,0,0,0,0,0|1,0,1]=4 1614 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [2,0,0,0,0,0|1,0,1]=4 1615 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [2,0,0,0,0,0|1,0,1]=4 1616 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [2,0,0,0,0,0|1,0,1]=4 1617 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|0,0,1]=3 1618 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|0,0,1]=3 1619 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [2,0,0,0,0,0|2,0,0]=4 1620 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [2,0,0,0,0,0|2,0,0]=4 1621 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [2,0,0,0,0,0|1,0,1]=4 1622 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [2,0,0,0,0,0|1,0,1]=4 1623 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [2,0,0,0,0,0|1,0,1]=4 1624 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [2,0,0,0,0,0|1,0,1]=4 1625 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [2,0,0,0,0,0|1,0,1]=4 1626 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [2,0,0,0,0,0|1,0,1]=4 1627 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [2,0,0,0,0,0|1,0,1]=4 1628 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|0,0,1]=3 1629 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|0,0,1]=3 1630 B5R0.1 C[C@H](O)CON MCULE-4216605221 [2,0,0,0,0,0|2,0,0]=4 1631 B5R0.1 C[C@H](O)CON MCULE-9863094719 [2,0,0,0,0,0|2,0,0]=4 1632 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [2,0,0,0,0,0|2,0,0]=4 1633 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|0,0,2]=4 1634 B5R0.1 N=C(N)CCO MCULE-4567824707 [2,0,0,0,0,0|2,0,0]=4 1635 B5R0.1 N=C(N)CCO MCULE-7139693715 [2,0,0,0,0,0|2,0,0]=4 1636 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|2,0,0]=4 1637 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|2,0,0]=4 1638 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|1,0,0]=3 1639 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|1,1,0]=4 1640 B5R0.1 NC(=O)NCO MCULE-7403641101 [2,0,0,0,0,0|2,0,0]=4 1641 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|1,0,0]=3 1642 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|1,0,0]=3 1643 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|1,0,0]=3 1644 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|0,0,0]=2 1645 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|0,0,0]=2 1646 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|0,0,0]=2 1647 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|0,0,1]=3 1648 B5R0.1 NCCN(=O)=O MCULE-8137427440 [2,0,0,0,0,0|1,0,1]=4 1649 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|1,0,0]=3 1650 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|1,0,0]=3 1651 B5R0.1 NNCC(=O)N MCULE-2794619708 [2,0,0,0,0,0|2,0,0]=4 1652 B5R0.1 NNCC(=O)N MCULE-6773156087 [2,0,0,0,0,0|2,0,0]=4 1653 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|1,0,0]=3 1654 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|1,0,0]=3 1655 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|1,0,0]=3 1656 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|1,0,0]=3 1657 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|1,0,0]=3 1658 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 1659 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 1660 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 1661 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [2,0,0,0,0,0|1,0,1]=4 1662 B5R0.1 O=C(O)C=NO MCULE-2039309679 [2,0,0,0,0,0|1,0,1]=4 1663 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,0]=3 1664 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,0]=3 1665 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,0]=3 1666 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,0]=3 1667 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|0,0,0]=2 1668 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|0,1,0]=3 1669 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|1,0,0]=3 1670 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|0,0,1]=3 1671 B5R0.1 O=N(=O)CCO MCULE-2060841405 [2,0,0,0,0,0|1,0,1]=4 1672 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,1]=4 1673 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [2,0,0,0,0,0|2,0,0]=4 1674 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [2,0,0,0,0,0|1,0,1]=4 1675 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,1]=4 1676 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|1,0,1]=4 1677 B5R0.2 C#CCCCN MCULE-3191305523 [2,0,0,0,0,0|1,0,1]=4 1678 B5R0.2 C#CCCCN MCULE-3259677872 [2,0,0,0,0,0|1,0,1]=4 1679 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|1,0,1]=4 1680 B5R0.2 C=CCCCBr MCULE-5027518679 [2,0,0,0,0,0|2,0,0]=4 1681 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|2,0,0]=4 1682 B5R0.2 C=CCCCCl MCULE-3877430809 [2,0,0,0,0,0|2,0,0]=4 1683 B5R0.2 C=CCCCI MCULE-8692831514 [2,0,0,0,0,0|2,0,0]=4 1684 B5R0.2 C=CCCCN MCULE-5787926547 [2,0,0,0,0,0|1,0,0]=3 1685 B5R0.2 C=CCCCN MCULE-7346989227 [2,0,0,0,0,0|1,0,0]=3 1686 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|2,0,0]=4 1687 B5R0.2 C=CCCON MCULE-3476228435 [2,0,0,0,0,0|2,0,0]=4 1688 B5R0.2 C=CCCON MCULE-9206052895 [2,0,0,0,0,0|2,0,0]=4 1689 B5R0.2 C=COCCN MCULE-8052872924 [2,0,0,0,0,0|2,0,0]=4 1690 B5R0.2 C=COCCN MCULE-8496820259 [2,0,0,0,0,0|2,0,0]=4 1691 B5R0.2 CC=CCCN MCULE-5129102475 [2,0,0,0,0,0|1,0,1]=4 1692 B5R0.2 CC=CCCN MCULE-8500001929 [2,0,0,0,0,0|1,0,1]=4 1693 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|1,0,0]=3 1694 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|1,0,1]=4 1695 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|1,0,1]=4 1696 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|1,0,1]=4 1697 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|1,0,1]=4 1698 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|1,0,1]=4 1699 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|2,0,0]=4 1700 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|2,0,0]=4 1701 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|2,0,0]=4 1702 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|2,0,0]=4 1703 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|2,0,0]=4 1704 B5R0.2 CNCCCN MCULE-1736081896 [2,0,0,0,0,0|2,0,0]=4 1705 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|2,0,0]=4 1706 B5R0.2 COCCCN MCULE-1421362990 [2,0,0,0,0,0|2,0,0]=4 1707 B5R0.2 COCCCN MCULE-4783132205 [2,0,0,0,0,0|2,0,0]=4 1708 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|2,0,0]=4 1709 B5R0.2 CSCCCN MCULE-1030938424 [2,0,0,0,0,0|2,0,0]=4 1710 B5R0.2 CSCCCN MCULE-4664984921 [2,0,0,0,0,0|2,0,0]=4 1711 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|0,0,2]=4 1712 B5R0.2 N#CCCCN MCULE-7159177087 [2,0,0,0,0,0|1,0,1]=4 1713 B5R0.2 N#CCCCN MCULE-8406710235 [2,0,0,0,0,0|1,0,1]=4 1714 B5R0.2 NCCCCBr MCULE-7095299053 [2,0,0,0,0,0|1,0,1]=4 1715 B5R0.2 NCCCCBr MCULE-7716027825 [2,0,0,0,0,0|1,0,1]=4 1716 B5R0.2 NCCCCCl MCULE-8484381726 [2,0,0,0,0,0|1,0,1]=4 1717 B5R0.2 NCCCCCl MCULE-9917306082 [2,0,0,0,0,0|1,0,1]=4 1718 B5R0.2 NCCCCF MCULE-4260727945 [2,0,0,0,0,0|1,0,1]=4 1719 B5R0.2 NCCCCF MCULE-7716720921 [2,0,0,0,0,0|1,0,1]=4 1720 B5R0.2 NCCCCN MCULE-3098044935 [2,0,0,0,0,0|1,0,1]=4 1721 B5R0.2 NCCCCN MCULE-7898833229 [2,0,0,0,0,0|1,0,1]=4 1722 B5R0.2 NCCCCN MCULE-8029479697 [2,0,0,0,0,0|1,0,1]=4 1723 B5R0.2 NCCCCN MCULE-8509656776 [2,0,0,0,0,0|1,0,1]=4 1724 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|0,0,1]=3 1725 B5R0.2 NCCCCS MCULE-4353910418 [2,0,0,0,0,0|0,1,1]=4 1726 B5R0.2 NCCCCS MCULE-9812416858 [2,0,0,0,0,0|0,1,1]=4 1727 B5R0.2 NCCCNN MCULE-7657257572 [2,0,0,0,0,0|2,0,0]=4 1728 B5R0.2 NCCCON MCULE-1071170242 [2,0,0,0,0,0|2,0,0]=4 1729 B5R0.2 NCCCON MCULE-7767315563 [2,0,0,0,0,0|2,0,0]=4 1730 B5R0.2 NNCCCO MCULE-5557482626 [2,0,0,0,0,0|1,0,1]=4 1731 B5R0.2 NNCCCO MCULE-7351853032 [2,0,0,0,0,0|1,0,1]=4 1732 B5R0.2 NNCCCO MCULE-7919314403 [2,0,0,0,0,0|1,0,1]=4 1733 B5R0.2 NOCCCO MCULE-1072312935 [2,0,0,0,0,0|1,0,1]=4 1734 B5R0.2 NOCCCO MCULE-3715520109 [2,0,0,0,0,0|1,0,1]=4 1735 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|1,0,1]=4 1736 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|1,0,1]=4 1737 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,0]=3 1738 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,0]=3 1739 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,0]=3 1740 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,0]=3 1741 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|2,0,0]=4 1742 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|2,0,0]=4 1743 B5R0.2 OC=CCCBr MCULE-3964604828 [2,0,0,0,0,0|1,0,1]=4 1744 B5R0.2 OC=CCCBr MCULE-5728835735 [2,0,0,0,0,0|1,0,1]=4 1745 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,1]=4 1746 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,1]=4 1747 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,1]=4 1748 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,1]=4 1749 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|1,0,1]=4 1750 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|1,0,1]=4 1751 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|1,0,1]=4 1752 B5R0.3 C=CC(O)CBr MCULE-3538023814 [2,0,0,0,0,0|1,0,1]=4 1753 B5R0.3 C=CC(O)CC MCULE-2794806228 [2,0,0,0,0,0|1,0,1]=4 1754 B5R0.3 C=CC(O)CN MCULE-3472823475 [2,0,0,0,0,0|0,0,1]=3 1755 B5R0.3 C=CC(O)CO MCULE-6172654550 [2,0,0,0,0,0|1,0,1]=4 1756 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [2,0,0,0,0,0|1,0,1]=4 1757 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [2,0,0,0,0,0|1,0,1]=4 1758 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [2,0,0,0,0,0|1,0,1]=4 1759 B5R0.3 CC(CN)CCl MCULE-2423692318 [2,0,0,0,0,0|2,0,0]=4 1760 B5R0.3 CC(CN)CCl MCULE-8419541212 [2,0,0,0,0,0|2,0,0]=4 1761 B5R0.3 CC(CN)CN MCULE-1464804013 [2,0,0,0,0,0|2,0,0]=4 1762 B5R0.3 CC(CN)CN MCULE-3273307813 [2,0,0,0,0,0|2,0,0]=4 1763 B5R0.3 CC(CN)CO MCULE-5880795484 [2,0,0,0,0,0|1,0,0]=3 1764 B5R0.3 CC(CN)CO MCULE-8083007887 [2,0,0,0,0,0|1,0,0]=3 1765 B5R0.3 CC(CO)CBr MCULE-3815333295 [2,0,0,0,0,0|2,0,0]=4 1766 B5R0.3 CC(CO)CBr MCULE-5695891877 [2,0,0,0,0,0|2,0,0]=4 1767 B5R0.3 CC(CO)CO MCULE-2340730326 [2,0,0,0,0,0|2,0,0]=4 1768 B5R0.3 CC(CO)CS MCULE-1990992504 [2,0,0,0,0,0|2,0,0]=4 1769 B5R0.3 CC(CO)NN MCULE-3362748538 [2,0,0,0,0,0|2,0,0]=4 1770 B5R0.3 CC(CO)NN MCULE-4440318216 [2,0,0,0,0,0|2,0,0]=4 1771 B5R0.3 CCC(Br)C=O MCULE-3064952987 [2,0,0,0,0,0|2,0,0]=4 1772 B5R0.3 CCC(Br)CO MCULE-7211805716 [2,0,0,0,0,0|2,0,0]=4 1773 B5R0.3 CCC(C)C=O MCULE-2523669899 [2,0,0,0,0,0|2,0,0]=4 1774 B5R0.3 CCC(C)CN MCULE-2777327284 [2,0,0,0,0,0|1,0,1]=4 1775 B5R0.3 CCC(C)CN MCULE-7014901600 [2,0,0,0,0,0|1,0,1]=4 1776 B5R0.3 CCC(C)CO MCULE-6521026296 [2,0,0,0,0,0|2,0,0]=4 1777 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [2,0,0,0,0,0|2,0,0]=4 1778 B5R0.3 CCC(Cl)CO MCULE-1756262629 [2,0,0,0,0,0|2,0,0]=4 1779 B5R0.3 CCC(F)CN MCULE-1291385596 [2,0,0,0,0,0|1,0,1]=4 1780 B5R0.3 CCC(F)CN MCULE-7421331323 [2,0,0,0,0,0|1,0,1]=4 1781 B5R0.3 CCC(N)CN MCULE-6911484065 [2,0,0,0,0,0|1,0,1]=4 1782 B5R0.3 CCC(N)CN MCULE-8376506697 [2,0,0,0,0,0|1,0,1]=4 1783 B5R0.3 CCC(N)CO MCULE-1135809021 [2,0,0,0,0,0|2,0,0]=4 1784 B5R0.3 CCC(N)CO MCULE-7588854111 [2,0,0,0,0,0|2,0,0]=4 1785 B5R0.3 CCC(O)CBr MCULE-4205031860 [2,0,0,0,0,0|1,0,1]=4 1786 B5R0.3 CCC(O)CC MCULE-5553645045 [2,0,0,0,0,0|1,0,1]=4 1787 B5R0.3 CCC(O)CCl MCULE-8359810208 [2,0,0,0,0,0|1,0,1]=4 1788 B5R0.3 CCC(O)CN MCULE-5197026448 [2,0,0,0,0,0|0,0,1]=3 1789 B5R0.3 CCC(O)CO MCULE-2488753438 [2,0,0,0,0,0|1,0,0]=3 1790 B5R0.3 CCC(O)CO MCULE-7297282094 [2,0,0,0,0,0|1,0,0]=3 1791 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [2,0,0,0,0,0|1,0,1]=4 1792 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [2,0,0,0,0,0|2,0,0]=4 1793 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [2,0,0,0,0,0|2,0,0]=4 1794 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [2,0,0,0,0,0|2,0,0]=4 1795 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [2,0,0,0,0,0|2,0,0]=4 1796 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [2,0,0,0,0,0|0,0,1]=3 1797 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [2,0,0,0,0,0|0,0,1]=3 1798 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [2,0,0,0,0,0|1,0,0]=3 1799 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [2,0,0,0,0,0|1,0,0]=3 1800 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [2,0,0,0,0,0|1,0,1]=4 1801 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [2,0,0,0,0,0|1,0,1]=4 1802 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [2,0,0,0,0,0|1,0,1]=4 1803 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [2,0,0,0,0,0|1,0,1]=4 1804 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [2,0,0,0,0,0|2,0,0]=4 1805 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [2,0,0,0,0,0|2,0,0]=4 1806 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [2,0,0,0,0,0|2,0,0]=4 1807 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [2,0,0,0,0,0|2,0,0]=4 1808 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [2,0,0,0,0,0|0,0,1]=3 1809 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [2,0,0,0,0,0|1,0,0]=3 1810 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [2,0,0,0,0,0|1,0,0]=3 1811 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [2,0,0,0,0,0|1,0,0]=3 1812 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [2,0,0,0,0,0|1,0,0]=3 1813 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [2,0,0,0,0,0|2,0,0]=4 1814 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [2,0,0,0,0,0|2,0,0]=4 1815 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [2,0,0,0,0,0|2,0,0]=4 1816 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [2,0,0,0,0,0|2,0,0]=4 1817 B5R0.3 NC(CO)CF MCULE-3756808200 [2,0,0,0,0,0|2,0,0]=4 1818 B5R0.3 NC(CO)CF MCULE-9468719402 [2,0,0,0,0,0|2,0,0]=4 1819 B5R0.3 NC(CO)CO MCULE-1559988016 [2,0,0,0,0,0|2,0,0]=4 1820 B5R0.3 NC(CO)CO MCULE-4954119952 [2,0,0,0,0,0|2,0,0]=4 1821 B5R0.3 NCC(Br)CBr MCULE-4507622045 [2,0,0,0,0,0|2,0,0]=4 1822 B5R0.3 NCC(Br)CBr MCULE-9707598399 [2,0,0,0,0,0|2,0,0]=4 1823 B5R0.3 NCC(F)CN MCULE-8855486562 [2,0,0,0,0,0|2,0,0]=4 1824 B5R0.3 NCC(F)CO MCULE-6156319956 [2,0,0,0,0,0|1,0,0]=3 1825 B5R0.3 NCC(F)CO MCULE-7472307328 [2,0,0,0,0,0|1,0,0]=3 1826 B5R0.3 NCC(O)CCl MCULE-1566349721 [2,0,0,0,0,0|1,0,0]=3 1827 B5R0.3 NCC(O)CCl MCULE-3532626994 [2,0,0,0,0,0|1,0,0]=3 1828 B5R0.3 NCC(O)CCl MCULE-5045913208 [2,0,0,0,0,0|1,0,0]=3 1829 B5R0.3 NCC(O)CCl MCULE-7168455596 [2,0,0,0,0,0|1,0,0]=3 1830 B5R0.3 NCC(O)CF MCULE-7529777116 [2,0,0,0,0,0|1,0,0]=3 1831 B5R0.3 NCC(O)CF MCULE-8092861019 [2,0,0,0,0,0|1,0,0]=3 1832 B5R0.3 NCC(O)CN MCULE-4689186078 [2,0,0,0,0,0|1,0,0]=3 1833 B5R0.3 NCC(O)CO MCULE-2689763818 [2,0,0,0,0,0|0,0,0]=2 1834 B5R0.3 NCC(O)CO MCULE-6096620010 [2,0,0,0,0,0|0,0,0]=2 1835 B5R0.3 NCC(O)CO MCULE-7307777212 [2,0,0,0,0,0|0,0,0]=2 1836 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [2,0,0,0,0,0|1,0,0]=3 1837 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [2,0,0,0,0,0|1,0,0]=3 1838 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [2,0,0,0,0,0|1,0,0]=3 1839 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [2,0,0,0,0,0|1,0,0]=3 1840 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [2,0,0,0,0,0|1,0,0]=3 1841 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [2,0,0,0,0,0|1,0,0]=3 1842 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [2,0,0,0,0,0|1,0,0]=3 1843 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [2,0,0,0,0,0|1,0,0]=3 1844 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [2,0,0,0,0,0|0,0,0]=2 1845 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [2,0,0,0,0,0|0,0,0]=2 1846 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [2,0,0,0,0,0|0,0,0]=2 1847 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [2,0,0,0,0,0|1,0,0]=3 1848 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [2,0,0,0,0,0|1,0,0]=3 1849 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [2,0,0,0,0,0|1,0,0]=3 1850 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [2,0,0,0,0,0|1,0,0]=3 1851 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [2,0,0,0,0,0|1,0,0]=3 1852 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [2,0,0,0,0,0|1,0,0]=3 1853 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [2,0,0,0,0,0|1,0,0]=3 1854 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [2,0,0,0,0,0|1,0,0]=3 1855 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [2,0,0,0,0,0|1,0,0]=3 1856 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [2,0,0,0,0,0|0,0,0]=2 1857 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [2,0,0,0,0,0|0,0,0]=2 1858 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [2,0,0,0,0,0|0,0,0]=2 1859 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [2,0,0,0,0,0|0,0,0]=2 1860 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [2,0,0,0,0,0|2,0,0]=4 1861 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [2,0,0,0,0,0|2,0,0]=4 1862 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [2,0,0,0,0,0|2,0,0]=4 1863 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [2,0,0,0,0,0|2,0,0]=4 1864 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [2,0,0,0,0,0|2,0,0]=4 1865 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [2,0,0,0,0,0|2,0,0]=4 1866 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [2,0,0,0,0,0|2,0,0]=4 1867 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [2,0,0,0,0,0|2,0,0]=4 1868 B5R0.3 O=CC(O)CO MCULE-9581740191 [2,0,0,0,0,0|1,0,0]=3 1869 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [2,0,0,0,0,0|1,0,0]=3 1870 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [2,0,0,0,0,0|1,0,0]=3 1871 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [2,0,0,0,0,0|1,0,0]=3 1872 B5R0.3 OC(CBr)CBr MCULE-9071238259 [2,0,0,0,0,0|2,0,0]=4 1873 B5R0.3 OC(CCl)CBr MCULE-3844020597 [2,0,0,0,0,0|2,0,0]=4 1874 B5R0.3 OC(CCl)CCl MCULE-7873018520 [2,0,0,0,0,0|2,0,0]=4 1875 B5R0.3 OC(CCl)CI MCULE-3276637880 [2,0,0,0,0,0|2,0,0]=4 1876 B5R0.3 OC(CF)CBr MCULE-3915880352 [2,0,0,0,0,0|2,0,0]=4 1877 B5R0.3 OC(CF)CCl MCULE-6441743377 [2,0,0,0,0,0|2,0,0]=4 1878 B5R0.3 OC(CF)CF MCULE-3360341794 [2,0,0,0,0,0|2,0,0]=4 1879 B5R0.3 OC(CI)CI MCULE-6842895270 [2,0,0,0,0,0|2,0,0]=4 1880 B5R0.3 OCC(Br)CBr MCULE-9616107956 [2,0,0,0,0,0|2,0,0]=4 1881 B5R0.3 OCC(Br)CO MCULE-9272628834 [2,0,0,0,0,0|2,0,0]=4 1882 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [2,0,0,0,0,0|2,0,0]=4 1883 B5R0.3 OCC(Cl)CO MCULE-7487945326 [2,0,0,0,0,0|2,0,0]=4 1884 B5R0.3 OCC(F)CBr MCULE-2889937576 [2,0,0,0,0,0|2,0,0]=4 1885 B5R0.3 OCC(F)CO MCULE-2970537690 [2,0,0,0,0,0|2,0,0]=4 1886 B5R0.3 OCC(O)CBr MCULE-9116190245 [2,0,0,0,0,0|1,0,0]=3 1887 B5R0.3 OCC(O)CCl MCULE-7895191088 [2,0,0,0,0,0|1,0,0]=3 1888 B5R0.3 OCC(O)CCl MCULE-8992242488 [2,0,0,0,0,0|1,0,0]=3 1889 B5R0.3 OCC(O)CF MCULE-3575952891 [2,0,0,0,0,0|1,0,0]=3 1890 B5R0.3 OCC(O)CF MCULE-8981430411 [2,0,0,0,0,0|1,0,0]=3 1891 B5R0.3 OCC(O)CI MCULE-6705992930 [2,0,0,0,0,0|1,0,0]=3 1892 B5R0.3 OCC(O)CO MCULE-6349111826 [2,0,0,0,0,0|1,0,0]=3 1893 B5R0.3 OCC(O)CS MCULE-6300188207 [2,0,0,0,0,0|1,0,0]=3 1894 B5R0.3 OCC(S)CS MCULE-9735516119 [2,0,0,0,0,0|1,1,0]=4 1895 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [2,0,0,0,0,0|1,0,0]=3 1896 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [2,0,0,0,0,0|1,0,0]=3 1897 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [2,0,0,0,0,0|1,0,0]=3 1898 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [2,0,0,0,0,0|1,0,0]=3 1899 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [2,0,0,0,0,0|1,0,0]=3 1900 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [2,0,0,0,0,0|1,0,0]=3 1901 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [2,0,0,0,0,0|1,0,0]=3 1902 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [2,0,0,0,0,0|1,0,0]=3 1903 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [2,0,0,0,0,0|1,0,0]=3 1904 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [2,0,0,0,0,0|2,0,0]=4 1905 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [2,0,0,0,0,0|2,0,0]=4 1906 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [2,0,0,0,0,0|1,0,0]=3 1907 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [2,0,0,0,0,0|1,0,0]=3 1908 B7R0.3 C#CCCC(O)CN MCULE-7845137108 [1,1,0,0,0,0|1,0,1]=4 1909 B7R0.3 C=CCCC(C)CN MCULE-2246705867 [1,1,0,0,0,0|2,0,0]=4 1910 B7R0.3 C=CCCC(C)CN MCULE-5238030814 [1,1,0,0,0,0|2,0,0]=4 1911 B7R0.3 C=CCCC(N)CN MCULE-3448579919 [1,1,0,0,0,0|2,0,0]=4 1912 B7R0.3 C=CCCC(O)CC MCULE-1265881694 [1,1,0,0,0,0|2,0,0]=4 1913 B7R0.3 C=CCCC(O)CCl MCULE-2554338674 [1,1,0,0,0,0|2,0,0]=4 1914 B7R0.3 C=CCCC(O)CN MCULE-4695723420 [1,1,0,0,0,0|1,0,0]=3 1915 B7R0.3 C=CCC[C@@H](O)CO MCULE-6352864696 [1,1,0,0,0,0|2,0,0]=4 1916 B7R0.3 C=CCOC(C)CN MCULE-7634569955 [1,1,0,0,0,0|2,0,0]=4 1917 B7R0.3 C=CCO[C@@H](C)CN MCULE-4623222070 [1,1,0,0,0,0|2,0,0]=4 1918 B7R0.3 CC(CN)CCCO MCULE-2908684674 [1,1,0,0,0,0|1,0,1]=4 1919 B7R0.3 CC(CN)CCCO MCULE-5608783947 [1,1,0,0,0,0|1,0,1]=4 1920 B7R0.3 CC(CN)CCCO MCULE-9269954426 [1,1,0,0,0,0|1,0,1]=4 1921 B7R0.3 CCC(O)C=CC=O MCULE-4385008411 [1,1,0,0,0,0|1,0,1]=4 1922 B7R0.3 CCC(O)CCCO MCULE-1099760826 [1,1,0,0,0,0|1,0,1]=4 1923 B7R0.3 CCC(O)CCOC MCULE-1245099360 [1,1,0,0,0,0|1,0,1]=4 1924 B7R0.3 CCCCC(O)CN MCULE-1383380728 [1,1,0,0,0,0|1,0,1]=4 1925 B7R0.3 CCOCC(O)CN MCULE-2355759727 [1,1,0,0,0,0|1,0,1]=4 1926 B7R0.3 COCCC(C)CN MCULE-7288397543 [1,1,0,0,0,0|1,0,1]=4 1927 B7R0.3 CSCCC(O)CN MCULE-3835830442 [1,1,0,0,0,0|0,1,1]=4 1928 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [1,1,0,0,0,0|1,0,1]=4 1929 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [1,1,0,0,0,0|1,0,1]=4 1930 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [1,1,0,0,0,0|1,0,1]=4 1931 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [1,1,0,0,0,0|1,0,1]=4 1932 B7R0.3 OCCCC(O)CO MCULE-3529953491 [1,1,0,0,0,0|1,0,1]=4 1933 B7R0.5 C=CCC(O)C(C)C MCULE-2334905388 [1,1,0,0,0,0|2,0,0]=4 1934 B7R0.5 CC(C)C(O)CCO MCULE-8819967893 [1,1,0,0,0,0|1,0,1]=4 1935 B7R0.7 C=CCC(O)CC=C MCULE-5356579850 [1,1,0,0,0,0|2,0,0]=4 1936 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [1,1,0,0,0,0|2,0,0]=4 1937 B7R0.7 CC(CCN)CCO MCULE-7864092529 [1,1,0,0,0,0|1,0,1]=4 1938 B7R0.7 CCCC(O)CCN MCULE-3796998426 [1,1,0,0,0,0|1,0,1]=4 1939 B7R0.7 CCCC(O)CCO MCULE-6957178966 [1,1,0,0,0,0|1,0,1]=4 1940 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [1,1,0,0,0,0|2,0,0]=4 1941 B7R0.7 CNCC(O)CNC MCULE-3978089543 [1,1,0,0,0,0|2,0,0]=4 1942 B7R0.7 CNCC(O)COC MCULE-8497493216 [1,1,0,0,0,0|2,0,0]=4 1943 B7R0.7 COCC(O)CCN MCULE-9524454931 [1,1,0,0,0,0|2,0,0]=4 1944 B7R0.7 COCC(O)CON MCULE-3159534337 [1,1,0,0,0,0|2,0,0]=4 1945 B7R0.7 CSCC(O)CNN MCULE-9232488868 [1,1,0,0,0,0|2,0,0]=4 1946 B7R0.7 OCCC(O)CCO MCULE-1162803524 [1,1,0,0,0,0|1,0,1]=4 1947 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [1,1,0,0,0,0|1,0,1]=4 1948 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [1,1,0,0,0,0|1,0,1]=4 1949 B7R0.10 CCC(C)C(O)CN MCULE-1941564207 [1,1,0,0,0,0|1,0,1]=4 1950 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [1,1,0,0,0,0|1,0,1]=4 1951 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [1,1,0,0,0,0|1,0,1]=4 1952 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-1073397630 [1,1,0,0,0,0|1,0,1]=4 1953 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-8068595970 [1,1,0,0,0,0|1,0,1]=4 1954 B7R0.10 O=CC(O)C(O)C=O MCULE-3439629952 [1,1,0,0,0,0|1,0,1]=4 1955 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [1,1,0,0,0,0|1,0,0]=3 1956 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [1,1,0,0,0,0|1,0,0]=3 1957 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [1,1,0,0,0,0|1,0,0]=3 1958 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [1,1,0,0,0,0|1,0,0]=3 1959 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [1,1,0,0,0,0|1,0,0]=3 1960 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [1,1,0,0,0,0|1,0,0]=3 1961 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [1,1,0,0,0,0|1,0,0]=3 1962 B7R0.10 OCC(O)C(O)CO MCULE-9009953851 [1,1,0,0,0,0|1,0,1]=4 1963 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-1593828237 [1,1,0,0,0,0|1,0,1]=4 1964 B7R0.10 OC[C@@H](O)[C@H](O)CO MCULE-7577661973 [1,1,0,0,0,0|1,0,1]=4 1965 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-7306394407 [1,1,0,0,0,0|1,0,1]=4 1966 B7R0.10 OC[C@H](O)[C@@H](O)CO MCULE-8013265935 [1,1,0,0,0,0|1,0,1]=4 1967 B7R0.10 OC[C@H](O)[C@H](O)CO MCULE-6886999157 [1,1,0,0,0,0|1,0,1]=4 1968 B7R0.11 C=CCC(C)(C)CN MCULE-2595926487 [1,1,0,0,0,0|2,0,0]=4 1969 B7R0.11 C=CCC(C)(C)CN MCULE-2740367961 [1,1,0,0,0,0|2,0,0]=4 1970 B7R0.11 C=CCC(C)(O)CC MCULE-9630662931 [1,1,0,0,0,0|2,0,0]=4 1971 B7R0.11 CC(C)(CN)CCO MCULE-8453542373 [1,1,0,0,0,0|1,0,1]=4 1972 B7R0.11 CC(O)(CO)CCO MCULE-4148316300 [1,1,0,0,0,0|1,0,1]=4 1973 B7R0.11 CCC(C)(C)CC=O MCULE-5511626130 [1,1,0,0,0,0|2,0,0]=4 1974 B7R0.11 CCC(C)(O)CCO MCULE-6173398477 [1,1,0,0,0,0|1,0,1]=4 1975 B7R0.11 CCCC(C)(O)CN MCULE-4716937953 [1,1,0,0,0,0|1,0,1]=4 1976 B7R0.11 COCC(C)(O)CN MCULE-8403551049 [1,1,0,0,0,0|2,0,0]=4 1977 B7R0.11 COCC(C)(O)CN MCULE-8479817538 [1,1,0,0,0,0|2,0,0]=4 1978 B7R0.11 CSCC(C)(O)CN MCULE-7935135383 [1,1,0,0,0,0|2,0,0]=4 1979 B7R0.12 C=CCC(CO)CO MCULE-4178696072 [1,1,0,0,0,0|2,0,0]=4 1980 B7R0.12 CCC(CC)CC=O MCULE-2208426846 [1,1,0,0,0,0|2,0,0]=4 1981 B7R0.12 CCC(CN)CCO MCULE-4612619767 [1,1,0,0,0,0|1,0,1]=4 1982 B7R0.12 CCCC(CN)OC MCULE-6456891707 [1,1,0,0,0,0|1,0,1]=4 1983 B7R0.12 COC(CN)CCN MCULE-6044078562 [1,1,0,0,0,0|1,0,1]=4 1984 B7R0.12 COCC(CN)OC MCULE-4660699329 [1,1,0,0,0,0|2,0,0]=4 1985 B7R0.12 COC[C@H](CN)OC MCULE-7911151873 [1,1,0,0,0,0|2,0,0]=4 1986 B7R0.12 OCCC(CO)CO MCULE-7198799967 [1,1,0,0,0,0|1,0,1]=4 1987 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [1,1,0,0,0,0|2,0,0]=4 1988 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [1,1,0,0,0,0|2,0,0]=4 1989 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [1,1,0,0,0,0|2,0,0]=4 1990 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [1,1,0,0,0,0|2,0,0]=4 1991 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [1,1,0,0,0,0|2,0,0]=4 1992 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [1,1,0,0,0,0|1,0,0]=3 1993 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [1,1,0,0,0,0|1,1,0]=4 1994 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [1,1,0,0,0,0|1,0,0]=3 1995 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [1,1,0,0,0,0|2,0,0]=4 1996 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [1,1,0,0,0,0|2,0,0]=4 1997 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [1,1,0,0,0,0|1,0,0]=3 1998 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [1,1,0,0,0,0|2,0,0]=4 1999 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [1,1,0,0,0,0|2,0,0]=4 2000 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [1,1,0,0,0,0|1,0,0]=3 2001 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [1,1,0,0,0,0|1,0,0]=3 2002 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [1,1,0,0,0,0|1,0,0]=3 2003 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [1,1,0,0,0,0|0,0,0]=2 2004 B7R0.9 CC(C)(O)CN(=O)=O MCULE-5099028458 [1,1,0,0,0,0|1,0,1]=4 2005 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [1,1,0,0,0,0|0,1,0]=3 2006 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [1,1,0,0,0,0|2,0,0]=4 2007 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [1,1,0,0,0,0|1,0,0]=3 2008 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [1,1,0,0,0,0|2,0,0]=4 2009 B7R0.9 CC(O)CC(C)(C)O MCULE-5281049691 [1,1,0,0,0,0|1,0,1]=4 2010 B7R0.9 CC(O)CC(C)(C)O MCULE-8163963858 [1,1,0,0,0,0|1,0,1]=4 2011 B7R0.9 CC(O)CS(=O)(=O)C MCULE-9821477194 [1,1,0,0,0,0|1,0,1]=4 2012 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [1,1,0,0,0,0|1,0,1]=4 2013 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [1,1,0,0,0,0|2,0,0]=4 2014 B7R0.9 C[C@@H](O)CC(C)(C)O MCULE-5779966658 [1,1,0,0,0,0|1,0,1]=4 2015 B7R0.9 C[C@H](O)CC(C)(C)O MCULE-6903579241 [1,1,0,0,0,0|1,0,1]=4 2016 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [1,1,0,0,0,0|2,0,0]=4 2017 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [1,1,0,0,0,0|1,1,0]=4 2018 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [1,1,0,0,0,0|1,0,1]=4 2019 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [1,1,0,0,0,0|2,0,0]=4 2020 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [1,1,0,0,0,0|2,0,0]=4 2021 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [1,1,0,0,0,0|2,0,0]=4 2022 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [1,1,0,0,0,0|1,0,1]=4 2023 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [1,1,0,0,0,0|1,0,1]=4 2024 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [1,1,0,0,0,0|1,0,1]=4 2025 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [1,1,0,0,0,0|1,0,1]=4 2026 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [1,1,0,0,0,0|1,0,1]=4 2027 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [1,1,0,0,0,0|1,0,1]=4 2028 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [1,1,0,0,0,0|1,0,1]=4 2029 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [1,1,0,0,0,0|1,0,1]=4 2030 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [1,1,0,0,0,0|1,0,1]=4 2031 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [1,1,0,0,0,0|2,0,0]=4 2032 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [1,1,0,0,0,0|2,0,0]=4 2033 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [1,1,0,0,0,0|1,0,0]=3 2034 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [1,1,0,0,0,0|1,0,0]=3 2035 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [1,1,0,0,0,0|1,0,1]=4 2036 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [1,1,0,0,0,0|2,0,0]=4 2037 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [1,1,0,0,0,0|2,0,0]=4 2038 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [1,1,0,0,0,0|2,0,0]=4 2039 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [1,1,0,0,0,0|1,0,1]=4 2040 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [1,1,0,0,0,0|2,0,0]=4 2041 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [1,1,0,0,0,0|2,0,0]=4 2042 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [1,1,0,0,0,0|2,0,0]=4 2043 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [1,1,0,0,0,0|1,0,0]=3 2044 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [1,1,0,0,0,0|1,0,0]=3 2045 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [1,1,0,0,0,0|2,0,0]=4 2046 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [1,1,0,0,0,0|1,0,0]=3 2047 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [1,1,0,0,0,0|2,0,0]=4 2048 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [1,1,0,0,0,0|1,0,0]=3 2049 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [1,1,0,0,0,0|1,0,0]=3 2050 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [1,1,0,0,0,0|2,0,0]=4 2051 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [1,1,0,0,0,0|2,0,0]=4 2052 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [1,1,0,0,0,0|1,0,0]=3 2053 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [1,1,0,0,0,0|1,0,0]=3 2054 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [1,1,0,0,0,0|1,0,0]=3 2055 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [1,1,0,0,0,0|1,0,0]=3 2056 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [1,1,0,0,0,0|1,0,0]=3 2057 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [1,1,0,0,0,0|1,0,0]=3 2058 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [1,1,0,0,0,0|2,0,0]=4 2059 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [1,1,0,0,0,0|2,0,0]=4 2060 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [1,1,0,0,0,0|2,0,0]=4 2061 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [1,1,0,0,0,0|2,0,0]=4 2062 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [1,1,0,0,0,0|1,0,0]=3 2063 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [1,1,0,0,0,0|1,0,0]=3 2064 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [1,1,0,0,0,0|1,0,0]=3 2065 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [1,1,0,0,0,0|1,0,0]=3 2066 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [1,1,0,0,0,0|1,0,0]=3 2067 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [1,1,0,0,0,0|1,0,0]=3 2068 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [1,1,0,0,0,0|1,0,0]=3 2069 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [1,1,0,0,0,0|1,0,0]=3 2070 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [1,1,0,0,0,0|1,0,0]=3 2071 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [1,1,0,0,0,0|1,0,0]=3 2072 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [1,1,0,0,0,0|2,0,0]=4 2073 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [1,1,0,0,0,0|2,0,0]=4 2074 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [1,1,0,0,0,0|2,0,0]=4 2075 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [1,1,0,0,0,0|2,0,0]=4 2076 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [1,1,0,0,0,0|2,0,0]=4 2077 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [1,1,0,0,0,0|2,0,0]=4 2078 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [1,1,0,0,0,0|1,0,0]=3 2079 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [1,1,0,0,0,0|1,0,0]=3 2080 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [1,1,0,0,0,0|1,0,0]=3 2081 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [1,1,0,0,0,0|1,0,0]=3 2082 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [1,1,0,0,0,0|1,0,0]=3 2083 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [1,1,0,0,0,0|1,0,0]=3 2084 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [1,1,0,0,0,0|1,0,0]=3 2085 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [1,1,0,0,0,0|1,0,0]=3 2086 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [1,1,0,0,0,0|1,0,0]=3 2087 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [1,1,0,0,0,0|0,0,0]=2 2088 B7R0.16 CC(O)C(C)N(=O)=O MCULE-8190257217 [1,1,0,0,0,0|1,0,1]=4 2089 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [1,1,0,0,0,0|1,0,0]=3 2090 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [1,1,0,0,0,0|1,0,0]=3 2091 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [1,1,0,0,0,0|0,0,0]=2 2092 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [1,1,0,0,0,0|0,0,0]=2 2093 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [1,1,0,0,0,0|2,0,0]=4 2094 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [1,1,0,0,0,0|2,0,0]=4 2095 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [1,1,0,0,0,0|2,0,0]=4 2096 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [1,1,0,0,0,0|1,0,0]=3 2097 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [1,1,0,0,0,0|0,0,0]=2 2098 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [1,1,0,0,0,0|0,0,0]=2 2099 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [1,1,0,0,0,0|0,0,0]=2 2100 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [1,1,0,0,0,0|0,0,0]=2 2101 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [1,1,0,0,0,0|1,0,0]=3 2102 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [1,1,0,0,0,0|1,0,0]=3 2103 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [1,1,0,0,0,0|1,0,0]=3 2104 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [1,1,0,0,0,0|1,0,0]=3 2105 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [1,1,0,0,0,0|1,0,0]=3 2106 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [1,1,0,0,0,0|1,0,0]=3 2107 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [1,1,0,0,0,0|0,0,0]=2 2108 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [1,1,0,0,0,0|0,0,0]=2 2109 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [1,1,0,0,0,0|0,0,0]=2 2110 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [1,1,0,0,0,0|0,0,0]=2 2111 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [1,1,0,0,0,0|0,0,0]=2 2112 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [1,1,0,0,0,0|0,0,0]=2 2113 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [1,1,0,0,0,0|2,0,0]=4 2114 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [1,1,0,0,0,0|2,0,0]=4 2115 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [1,1,0,0,0,0|1,0,0]=3 2116 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [1,1,0,0,0,0|1,0,0]=3 2117 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [1,1,0,0,0,0|0,0,0]=2 2118 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [1,1,0,0,0,0|1,0,0]=3 2119 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [1,1,0,0,0,0|1,0,0]=3 2120 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [1,1,0,0,0,0|1,0,0]=3 2121 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [1,1,0,0,0,0|1,0,0]=3 2122 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [1,1,0,0,0,0|0,0,0]=2 2123 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [1,1,0,0,0,0|0,0,0]=2 2124 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [1,1,0,0,0,0|0,0,0]=2 2125 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [1,1,0,0,0,0|0,0,0]=2 2126 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [1,1,0,0,0,0|0,0,0]=2 2127 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [1,1,0,0,0,0|0,0,0]=2 2128 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [1,1,0,0,0,0|1,0,1]=4 2129 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [1,1,0,0,0,0|1,0,1]=4 2130 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [1,1,0,0,0,0|1,0,1]=4 2131 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [1,1,0,0,0,0|1,0,1]=4 2132 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [1,1,0,0,0,0|2,0,0]=4 2133 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,1,0,0,0,0|2,0,0]=4 2134 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [1,1,0,0,0,0|2,0,0]=4 2135 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,1,0,0,0,0|2,0,0]=4 2136 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,1,0,0,0,0|1,0,0]=3 2137 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,1,0,0,0,0|1,0,1]=4 2138 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,1,0,0,0,0|1,0,1]=4 2139 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,1,0,0,0,0|1,0,1]=4 2140 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,1,0,0,0,0|1,0,1]=4 2141 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|1,0,1]=4 2142 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|1,0,1]=4 2143 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|1,0,1]=4 2144 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,1,0,0,0,0|2,0,0]=4 2145 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|1,0,0]=3 2146 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|1,0,1]=4 2147 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|1,0,1]=4 2148 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|1,0,1]=4 2149 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|1,0,1]=4 2150 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,1,0,0,0,0|1,0,1]=4 2151 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,1,0,0,0,0|1,0,1]=4 2152 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,1,0,0,0,0|2,0,0]=4 2153 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,1,0,0,0,0|2,0,0]=4 2154 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|2,0,0]=4 2155 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,1,0,0,0,0|2,0,0]=4 2156 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,1,0,0,0,0|2,0,0]=4 2157 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,1,0,0,0,0|2,0,0]=4 2158 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,1,0,0,0,0|1,0,0]=3 2159 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,1,0,0,0,0|1,0,0]=3 2160 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,1,0,0,0,0|2,0,0]=4 2161 B7R0.4 CC(=O)NCCON MCULE-3703048482 [1,1,0,0,0,0|2,0,0]=4 2162 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [1,1,0,0,0,0|2,0,0]=4 2163 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [1,1,0,0,0,0|2,0,0]=4 2164 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [1,1,0,0,0,0|2,0,0]=4 2165 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,1,0,0,0,0|2,0,0]=4 2166 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [1,1,0,0,0,0|2,0,0]=4 2167 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [1,1,0,0,0,0|2,0,0]=4 2168 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [1,1,0,0,0,0|2,0,0]=4 2169 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|2,0,0]=4 2170 B7R0.4 CC(O)CNCCN MCULE-3904214677 [1,1,0,0,0,0|1,0,1]=4 2171 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|1,0,1]=4 2172 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|1,0,1]=4 2173 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,1,0,0,0,0|1,0,1]=4 2174 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|1,0,1]=4 2175 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,1,0,0,0,0|2,0,0]=4 2176 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,1,0,0,0,0|2,0,0]=4 2177 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,1,0,0,0,0|2,0,0]=4 2178 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,1,0,0,0,0|1,0,0]=3 2179 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,1,0,0,0,0|1,0,1]=4 2180 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,1,0,0,0,0|1,0,1]=4 2181 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,1,0,0,0,0|2,0,0]=4 2182 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,1,0,0,0,0|2,0,0]=4 2183 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,1,0,0,0,0|2,0,0]=4 2184 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,1,0,0,0,0|2,0,0]=4 2185 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,1,0,0,0,0|2,0,0]=4 2186 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,1,0,0,0,0|2,0,0]=4 2187 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,1,0,0,0,0|2,0,0]=4 2188 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,1,0,0,0,0|2,0,0]=4 2189 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,1,0,0,0,0|2,0,0]=4 2190 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,1,0,0,0,0|2,0,0]=4 2191 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|1,0,0]=3 2192 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|1,0,0]=3 2193 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|1,0,0]=3 2194 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,1,0,0,0,0|2,0,0]=4 2195 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|1,0,0]=3 2196 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,1,0,0,0,0|2,0,0]=4 2197 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,1,0,0,0,0|2,0,0]=4 2198 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|1,0,0]=3 2199 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|1,0,0]=3 2200 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,1,0,0,0,0|2,0,0]=4 2201 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,1,0,0,0,0|2,0,0]=4 2202 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,1,0,0,0,0|1,0,0]=3 2203 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|1,0,0]=3 2204 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,1,0,0,0,0|1,0,0]=3 2205 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,1,0,0,0,0|1,0,0]=3 2206 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|0,0,0]=2 2207 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|0,0,0]=2 2208 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,1,0,0,0,0|2,0,0]=4 2209 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,1,0,0,0,0|2,0,0]=4 2210 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,1,0,0,0,0|2,0,0]=4 2211 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,1,0,0,0,0|2,0,0]=4 2212 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|2,0,0]=4 2213 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|1,0,0]=3 2214 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,1,0,0,0,0|1,0,0]=3 2215 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,1,0,0,0,0|2,0,0]=4 2216 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,1,0,0,0,0|0,0,1]=3 2217 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,1,0,0,0,0|0,0,2]=4 2218 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,1,0,0,0,0|1,0,1]=4 2219 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,1,0,0,0,0|2,0,0]=4 2220 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,1,0,0,0,0|2,0,0]=4 2221 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,1,0,0,0,0|2,0,0]=4 2222 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [1,1,0,0,0,0|2,0,0]=4 2223 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,1,0,0,0,0|2,0,0]=4 2224 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,1,0,0,0,0|2,0,0]=4 2225 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,1,0,0,0,0|2,0,0]=4 2226 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,1,0,0,0,0|1,0,0]=3 2227 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,1,0,0,0,0|1,0,0]=3 2228 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|0,0,0]=2 2229 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|0,0,0]=2 2230 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|0,0,0]=2 2231 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|0,0,0]=2 2232 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [1,1,0,0,0,0|1,0,0]=3 2233 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [1,1,0,0,0,0|1,0,0]=3 2234 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [1,1,0,0,0,0|1,0,0]=3 2235 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|0,0,0]=2 2236 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|0,0,0]=2 2237 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|0,0,0]=2 2238 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|0,0,0]=2 2239 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|0,0,0]=2 2240 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|0,0,0]=2 2241 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|0,0,0]=2 2242 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|0,0,0]=2 2243 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,1,0,0,0,0|2,0,0]=4 2244 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,1,0,0,0,0|2,0,0]=4 2245 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,1,0,0,0,0|2,0,0]=4 2246 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [1,1,0,0,0,0|2,0,0]=4 2247 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [1,1,0,0,0,0|2,0,0]=4 2248 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [1,1,0,0,0,0|2,0,0]=4 2249 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,1,0,0,0,0|1,0,1]=4 2250 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|1,0,1]=4 2251 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,1,0,0,0,0|1,0,0]=3 2252 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,1,0,0,0,0|1,0,0]=3 2253 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|1,0,0]=3 2254 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,1,0,0,0,0|1,0,0]=3 2255 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|1,0,0]=3 2256 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|1,0,0]=3 2257 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|1,0,0]=3 2258 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|1,0,0]=3 2259 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|1,0,0]=3 2260 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|1,0,0]=3 2261 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|1,0,0]=3 2262 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,1,0,0,0,0|1,0,1]=4 2263 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,1,0,0,0,0|1,0,1]=4 2264 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|1,0,0]=3 2265 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,1,0,0,0,0|1,0,1]=4 2266 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|1,0,1]=4 2267 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [1,1,0,0,0,0|2,0,0]=4 2268 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,1,0,0,0,0|1,0,1]=4 2269 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,1,0,0,0,0|1,0,1]=4 2270 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|1,0,1]=4 2271 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|2,0,0]=4 2272 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,1,0,0,0,0|2,0,0]=4 2273 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,1,0,0,0,0|2,0,0]=4 2274 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|2,0,0]=4 2275 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,1,0,0,0,0|1,0,0]=3 2276 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|2,0,0]=4 2277 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|2,0,0]=4 2278 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,1,0,0,0,0|2,0,0]=4 2279 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,1,0,0,0,0|2,0,0]=4 2280 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,1,0,0,0,0|2,0,0]=4 2281 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,1,0,0,0,0|0,0,0]=2 2282 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,1,0,0,0,0|0,0,0]=2 2283 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [1,1,0,0,0,0|2,0,0]=4 2284 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [1,1,0,0,0,0|2,0,0]=4 2285 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|1,0,0]=3 2286 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|1,0,1]=4 2287 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,1,0,0,0,0|1,0,0]=3 2288 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,1,0,0,0,0|2,0,0]=4 2289 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,1,0,0,0,0|2,0,0]=4 2290 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|2,0,0]=4 2291 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,1,0,0,0,0|0,0,0]=2 2292 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,1,0,0,0,0|0,0,0]=2 2293 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,1,0,0,0,0|0,0,0]=2 2294 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,1,0,0,0,0|0,0,0]=2 2295 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|2,0,0]=4 2296 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,1,0,0,0,0|0,0,0]=2 2297 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,1,0,0,0,0|0,0,0]=2 2298 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,1,0,0,0,0|2,0,0]=4 2299 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,1,0,0,0,0|2,0,0]=4 2300 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [1,1,0,0,0,0|1,0,1]=4 2301 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [1,1,0,0,0,0|1,0,1]=4 2302 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [1,1,0,0,0,0|1,0,1]=4 2303 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [1,1,0,0,0,0|1,0,1]=4 2304 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [1,1,0,0,0,0|1,0,1]=4 2305 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,1,0,0,0,0|0,0,1]=3 2306 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,1,0,0,0,0|1,0,1]=4 2307 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [1,1,0,0,0,0|1,0,1]=4 2308 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [1,1,0,0,0,0|1,0,1]=4 2309 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,1,0,0,0,0|2,0,0]=4 2310 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,1,0,0,0,0|1,0,1]=4 2311 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,1,0,0,0,0|1,0,1]=4 2312 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,1,0,0,0,0|1,0,0]=3 2313 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,1,0,0,0,0|2,0,0]=4 2314 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [1,1,0,0,0,0|2,0,0]=4 2315 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [1,1,0,0,0,0|2,0,0]=4 2316 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,1,0,0,0,0|1,0,1]=4 2317 B7R0.8 CC(C)(O)CCCN MCULE-1661840780 [1,1,0,0,0,0|1,0,1]=4 2318 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [1,1,0,0,0,0|2,0,0]=4 2319 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [1,1,0,0,0,0|2,0,0]=4 2320 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [1,1,0,0,0,0|1,0,0]=3 2321 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [1,1,0,0,0,0|1,0,0]=3 2322 B7R0.8 CS(=O)(=O)CCCN MCULE-2348963019 [1,1,0,0,0,0|1,0,1]=4 2323 B7R0.8 CS(=O)(=O)CCCN MCULE-8313734317 [1,1,0,0,0,0|1,0,1]=4 2324 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [1,1,0,0,0,0|1,0,0]=3 2325 B7R0.8 NCCCS(=O)(=O)F MCULE-6138333013 [1,1,0,0,0,0|1,0,1]=4 2326 B7R0.8 NCCCS(=O)(=O)F MCULE-9025705422 [1,1,0,0,0,0|1,0,1]=4 2327 B7R0.8 NCCCS(=O)(=O)N MCULE-6072096680 [1,1,0,0,0,0|1,0,1]=4 2328 B7R0.8 NCCCS(=O)(=O)N MCULE-8587840230 [1,1,0,0,0,0|1,0,1]=4 2329 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [1,1,0,0,0,0|1,0,0]=3 2330 B7R0.8 NCCCS(=O)(=O)[O-] MCULE-5180999844 [1,1,0,0,0,0|1,0,1]=4 2331 B7R0.8 NCCC[Si](O)(O)O MCULE-9706812989 [1,1,0,0,0,0|0,1,1]=4 2332 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [1,1,0,0,0,0|2,0,0]=4 2333 B7R0.8 NCCOS(=O)(=O)O MCULE-1813036738 [1,1,0,0,0,0|2,0,0]=4 2334 B7R0.8 NCCSS(=O)(=O)O MCULE-7796847391 [1,1,0,0,0,0|2,0,0]=4 2335 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [1,1,0,0,0,0|2,0,0]=4 2336 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [1,1,0,0,0,0|2,0,0]=4 2337 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [1,1,0,0,0,0|2,0,0]=4 2338 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [1,1,0,0,0,0|2,0,0]=4 2339 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [1,1,0,0,0,0|2,0,0]=4 2340 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,1,0,0,1,0|1,0,1]=4 2341 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,1,0,0,1,0|2,0,0]=4 2342 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,1,0,0,1,0|2,0,0]=4 2343 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,1,0,0,1,0|2,0,0]=4 2344 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,1,0,0,1,0|2,0,0]=4 2345 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,1,0,0,1,0|2,0,0]=4 2346 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,1,0,0,1,0|1,0,0]=3 2347 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,1,0,0,1,0|1,0,0]=3 2348 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,1,0,0,1,0|2,0,0]=4 2349 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [0,1,0,0,1,0|2,0,0]=4 2350 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [0,1,0,0,1,0|2,0,0]=4 2351 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,1,0,0,1,0|2,0,0]=4 2352 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,1,0,0,1,0|2,0,0]=4 2353 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,1,0,0,1,0|2,0,0]=4 2354 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,1,0,0,1,0|2,0,0]=4 2355 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,1,0,0,1,0|2,0,0]=4 2356 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,1,0,0,1,0|1,0,0]=3 2357 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,1,0,0,1,0|1,0,0]=3 2358 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,1,0,0,1,0|1,0,0]=3 2359 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,1,0,0,1,0|2,0,0]=4 2360 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,1,0,0,1,0|2,0,0]=4 2361 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,1,0,0,1,0|2,0,0]=4 2362 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,1,0,0,1,0|2,0,0]=4 2363 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,1,0,0,1,0|2,0,0]=4 2364 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [0,1,0,0,1,0|2,0,0]=4 2365 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [0,1,0,0,1,0|2,0,0]=4 2366 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,1,0,0,1,0|2,0,0]=4 2367 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,1,0,0,1,0|1,0,0]=3 2368 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,1,0,0,1,0|2,0,0]=4 2369 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,1,0,0,1,0|2,0,0]=4 2370 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,1,0,0,1,0|2,0,0]=4 2371 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,1,0,0,1,0|2,0,0]=4 2372 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,1,0,0,1,0|2,0,0]=4 2373 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,1,0,0,1,0|2,0,0]=4 2374 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,1,0,0,1,0|2,0,0]=4 2375 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,1,0,0,1,0|2,0,0]=4 2376 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,1,0,0,1,0|2,0,0]=4 2377 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,1,0,0,1,0|2,0,0]=4 2378 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,1,0,0,1,0|1,0,0]=3 2379 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,1,0,0,1,0|2,0,0]=4 2380 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,1,0,0,1,0|2,0,0]=4 2381 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,1,0,0,1,0|2,0,0]=4 2382 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,1,0,0,1,0|2,0,0]=4 2383 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,1,0,0,1,0|2,0,0]=4 2384 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,1,0,0,1,0|2,0,0]=4 2385 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,1,0,0,1,0|1,0,0]=3 2386 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,1,0,0,1,0|1,0,0]=3 2387 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,1,0,0,1,0|2,0,0]=4 2388 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,1,0,0,1,0|2,0,0]=4 2389 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,1,0,0,1,0|2,0,0]=4 2390 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,1,0,0,1,0|2,0,0]=4 2391 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,1,0,0,1,0|2,0,0]=4 2392 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,1,0,0,1,0|2,0,0]=4 2393 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,1,0,0,1,0|1,0,0]=3 2394 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,1,0,0,1,0|1,0,0]=3 2395 B7R0.13 NCC(F)(F)C(=O)N MCULE-1522301920 [0,1,0,0,1,0|2,0,0]=4 2396 B7R0.13 NCC(F)(F)C(=O)N MCULE-2239490291 [0,1,0,0,1,0|2,0,0]=4 2397 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,1,0,0,1,0|1,0,0]=3 2398 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,1,0,0,1,0|1,0,0]=3 2399 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,1,0,0,1,0|2,0,0]=4 2400 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,1,0,0,1,0|2,0,0]=4 2401 B7R0.14 CC(C)(O)C(O)CN MCULE-5716430192 [0,1,0,0,1,0|1,0,1]=4 2402 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,1,0,0,1,0|2,0,0]=4 2403 B7R0.14 O=S(=O)(O)C(O)CCl MCULE-7097420026 [0,1,0,0,1,0|2,0,0]=4 2404 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,1,0,0,1,0|1,0,1]=4 2405 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,1,0,0,1,0|2,0,0]=4 2406 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,1,0,0,1,0|2,0,0]=4 2407 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,1,0,0,1,0|2,0,0]=4 2408 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,1,0,0,1,0|1,0,0]=3 2409 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,1,0,0,1,0|1,0,0]=3 2410 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,1,0,0,1,0|1,0,0]=3 2411 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,1,0,0,1,0|1,0,1]=4 2412 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,1,0,0,1,0|2,0,0]=4 2413 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,1,0,0,1,0|2,0,0]=4 2414 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,1,0,0,1,0|2,0,0]=4 2415 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,1,0,0,1,0|1,0,0]=3 2416 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,1,0,0,1,0|2,0,0]=4 2417 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,1,0,0,1,0|1,0,0]=3 2418 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,1,0,0,1,0|1,1,0]=4 2419 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,1,0,0,1,0|1,0,0]=3 2420 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,1,0,0,1,0|1,0,0]=3 2421 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,1,0,0,1,0|1,0,0]=3 2422 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,1,0,0,1,0|1,0,0]=3 2423 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,1,0,0,1,0|1,0,0]=3 2424 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,1,0,0,1,0|1,0,0]=3 2425 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,1,0,0,1,0|2,0,0]=4 2426 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,1,0,0,1,0|2,0,0]=4 2427 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,1,0,0,1,0|2,0,0]=4 2428 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,1,0,0,1,0|2,0,0]=4 2429 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,1,0,0,1,0|2,0,0]=4 2430 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,1,0,0,1,0|1,0,0]=3 2431 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,1,0,0,1,0|1,0,0]=3 2432 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,1,0,0,1,0|2,0,0]=4 2433 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,1,0,0,1,0|2,0,0]=4 2434 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,1,0,0,1,0|2,0,0]=4 2435 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,1,0,0,1,0|2,0,0]=4 2436 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,1,0,0,1,0|2,0,0]=4 2437 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,1,0,0,1,0|2,0,0]=4 2438 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,1,0,0,1,0|2,0,0]=4 2439 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,1,0,0,1,0|2,0,0]=4 2440 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,1,0,0,1,0|1,0,0]=3 2441 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,1,0,0,1,0|1,0,0]=3 2442 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,1,0,0,1,0|0,0,0]=2 2443 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,1,0,0,1,0|0,0,0]=2 2444 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,1,0,0,1,0|2,0,0]=4 2445 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,1,0,0,1,0|0,0,0]=2 2446 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,1,0,0,1,0|0,0,0]=2 2447 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,1,0,0,1,0|1,0,0]=3 2448 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,1,0,0,1,0|0,0,0]=2 2449 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,1,0,0,1,0|0,0,0]=2 2450 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,1,0,0,1,0|0,0,0]=2 2451 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,1,0,0,1,0|0,0,0]=2 2452 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,1,0,0,1,0|0,0,0]=2 2453 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,1,0,0,1,0|2,0,0]=4 2454 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,1,0,0,1,0|1,1,0]=4 2455 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,1,0,0,1,0|1,1,0]=4 2456 B9R0.7 CC(N)C(=O)NCC(=O)O MCULE-5334499783 [0,1,0,0,0,1|0,0,2]=4 2457 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-1572586456 [0,1,0,0,0,1|0,0,2]=4 2458 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-2334963197 [0,1,0,0,0,1|0,0,2]=4 2459 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-3041567092 [0,1,0,0,0,1|0,0,2]=4 2460 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-5810433569 [0,1,0,0,0,1|0,0,2]=4 2461 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-1231323853 [0,1,0,0,0,1|0,0,2]=4 2462 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-6793382418 [0,1,0,0,0,1|0,0,2]=4 2463 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-7109792615 [0,1,0,0,0,1|1,0,1]=4 2464 B9R0.7 NC(=O)C(N)CCC(=O)O MCULE-8741984156 [0,1,0,0,0,1|1,0,1]=4 2465 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7404893649 [0,1,0,0,0,1|1,0,1]=4 2466 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O MCULE-7580681383 [0,1,0,0,0,1|1,0,1]=4 2467 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3142698040 [0,1,0,0,0,1|1,0,1]=4 2468 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-3865619229 [0,1,0,0,0,1|1,0,1]=4 2469 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8184010011 [0,1,0,0,0,1|1,0,1]=4 2470 B9R0.7 NC(=O)[C@H](N)CCC(=O)O MCULE-8981731652 [0,1,0,0,0,1|1,0,1]=4 2471 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,0,0,0,1|2,0,0]=4 2472 B9R0.7 O=C(O)CCC(O)C(=O)O MCULE-5732806069 [0,1,0,0,0,1|1,0,1]=4 2473 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-2990674754 [0,1,0,0,0,1|1,0,1]=4 2474 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O MCULE-9463608806 [0,1,0,0,0,1|1,0,1]=4 2475 B9R0.7 O=C(O)CC[C@H](O)C(=O)O MCULE-4494756126 [0,1,0,0,0,1|1,0,1]=4 2476 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)N MCULE-1881473683 [0,1,0,0,0,1|1,0,1]=4 2477 B9R0.7 [C@H](O)(CCC(=O)O)C(=O)O MCULE-8564542509 [0,1,0,0,0,1|1,0,1]=4 2478 B9R0.21 O=P(O)(O)OCC(O)CO MCULE-1053997818 [0,1,0,0,0,1|2,0,0]=4 2479 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-1337563082 [0,1,0,0,0,1|2,0,0]=4 2480 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-2982304745 [0,1,0,0,0,1|2,0,0]=4 2481 B9R0.21 O=P(O)(O)OC[C@H](O)CO MCULE-9577432755 [0,1,0,0,0,1|2,0,0]=4 2482 B9R0.21 O=S(=O)(O)NCC(O)CCl MCULE-2572624591 [0,1,0,0,0,1|2,0,0]=4 2483 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,1,0,0,0,1|2,0,0]=4 2484 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,1,0,0,0,1|2,0,0]=4 2485 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,1,0,0,0,1|2,0,0]=4 2486 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,1,0,0,0,1|2,0,0]=4 2487 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,1,0,0,0,1|2,0,0]=4 2488 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,1,0,0,0,1|2,0,0]=4 2489 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,1,0,0,0,1|2,0,0]=4 2490 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,1,0,0,0,1|2,0,0]=4 2491 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,1,0,0,0,1|2,0,0]=4 2492 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,1,0,0,0,1|2,0,0]=4 2493 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,1,0,0,0,1|2,0,0]=4 2494 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,1,0,0,0,1|2,0,0]=4 2495 B9R0.23 CN(CC(=O)O)C(=O)CN MCULE-9356220331 [0,1,0,0,0,1|0,0,2]=4 2496 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,1,0,0,0,1|1,0,0]=3 2497 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,1,0,0,0,1|1,0,0]=3 2498 B9R0.24 CCC(C)NCC(=O)OC MCULE-5997453349 [0,1,0,0,0,1|2,0,0]=4 2499 B9R0.24 CCC(C)SCC(=O)OC MCULE-7927875176 [0,1,0,0,0,1|2,0,0]=4 2500 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [0,1,0,0,0,1|2,0,0]=4 2501 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [0,1,0,0,0,1|2,0,0]=4 2502 B9R0.24 CCC(O)C#CC(=O)OC MCULE-8230920349 [0,1,0,0,0,1|1,0,1]=4 2503 B9R0.24 CCC(O)CCC(=O)NN MCULE-1166870258 [0,1,0,0,0,1|2,0,0]=4 2504 B9R0.24 COC(=O)C=CC(O)CO MCULE-8824735317 [0,1,0,0,0,1|1,0,1]=4 2505 B9R0.24 COC(=O)CCC(=O)CN MCULE-7356254100 [0,1,0,0,0,1|0,0,2]=4 2506 B9R0.24 COC(=O)CCC(=O)CN MCULE-8571939531 [0,1,0,0,0,1|0,0,2]=4 2507 B9R0.24 COC(=O)CNC(=O)CN MCULE-8016204677 [0,1,0,0,0,1|0,0,2]=4 2508 B9R0.24 COC(=O)CNC(=O)CN MCULE-8572365948 [0,1,0,0,0,1|0,0,2]=4 2509 B9R0.24 O=C(CCl)NCC(O)CO MCULE-8204242344 [0,1,0,0,0,1|2,0,0]=4 2510 B9R0.24 O=C(CS)OCC(O)CO MCULE-2071903342 [0,1,0,0,0,1|1,1,0]=4 2511 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,1,0,0,0,1|2,0,0]=4 2512 B9R0.42 CC(NC(=O)CN)C(=O)O MCULE-2027405418 [0,1,0,0,0,1|0,0,2]=4 2513 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,1,0,0,0,1|2,0,0]=4 2514 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,0,0,0,1|2,0,0]=4 2515 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,0,0,0,1|2,0,0]=4 2516 B9R0.42 C[C@H](NC(=O)CN)C(=O)O MCULE-2496637228 [0,1,0,0,0,1|0,0,2]=4 2517 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,1,0,0,0,1|0,0,2]=4 2518 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,1,0,0,0,1|0,0,2]=4 2519 B9R0.42 [C@@H](C)(NC(=O)CN)C(=O)O MCULE-7578084271 [0,1,0,0,0,1|0,0,2]=4 2520 B9R0.43 CC(=O)SCC(CN)CN MCULE-4601063498 [0,1,0,0,0,1|2,0,0]=4 2521 B9R0.43 CC(=O)SCC(CN)CN MCULE-7349435143 [0,1,0,0,0,1|2,0,0]=4 2522 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [0,1,0,0,0,1|2,0,0]=4 2523 B9R0.43 CCC(CC)OCC(=O)O MCULE-1363431600 [0,1,0,0,0,1|2,0,0]=4 2524 B9R0.43 CCC(CO)CCC(=O)C MCULE-7352596779 [0,1,0,0,0,1|2,0,0]=4 2525 B9R0.43 CCC(COC(=O)C)OC MCULE-7626279147 [0,1,0,0,0,1|2,0,0]=4 2526 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,1,0,0,0,1|2,0,0]=4 2527 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,1,0,0,0,1|2,0,0]=4 2528 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,1,0,0,0,1|2,0,0]=4 2529 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [0,1,0,0,0,1|2,0,0]=4 2530 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [0,1,0,0,0,1|2,0,0]=4 2531 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,1,0,0,0,1|0,0,2]=4 2532 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,1,0,0,0,1|0,0,2]=4 2533 B9R0.64 CCC(C)(C)OCC(=O)O MCULE-6870018986 [0,1,0,0,0,1|2,0,0]=4 2534 B9R0.64 NCP(=O)(O)CCC(=O)O MCULE-8895842344 [0,1,0,0,0,1|1,0,0]=3 2535 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,2,0,0,0,0|1,0,0]=3 2537 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.27 CCC(C)C(Cl)C(=O)OC MCULE-4549387192 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-1846968686 [0,2,0,0,0,0|2,0,0]=4 2543 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-3209850544 [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.27 CCC(C)C(O)C(=O)OC MCULE-8434457313 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-5958902036 [0,2,0,0,0,0|2,0,0]=4 2546 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-7272235506 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.27 CCC(O)C(C)C(=O)OC MCULE-2007143538 [0,2,0,0,0,0|1,0,0]=3 2548 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-5533680436 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-7868747169 [0,2,0,0,0,0|2,0,0]=4 2550 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-9579020209 [0,2,0,0,0,0|2,0,0]=4 2551 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-1729886523 [0,2,0,0,0,0|2,0,0]=4 2552 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-2521314466 [0,2,0,0,0,0|2,0,0]=4 2553 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-5130592222 [0,2,0,0,0,0|2,0,0]=4 2554 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-6653217048 [0,2,0,0,0,0|2,0,0]=4 2555 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-5150983559 [0,2,0,0,0,0|2,0,0]=4 2556 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-6620651568 [0,2,0,0,0,0|2,0,0]=4 2557 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-7115424543 [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-9658781072 [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr MCULE-2908359031 [0,2,0,0,0,0|1,0,0]=3 2560 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [0,2,0,0,0,0|1,0,0]=3 2561 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [0,2,0,0,0,0|1,0,0]=3 2562 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [0,2,0,0,0,0|1,0,0]=3 2563 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [0,2,0,0,0,0|1,0,0]=3 2564 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [0,2,0,0,0,0|1,0,0]=3 2565 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [0,2,0,0,0,0|1,0,0]=3 2566 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [0,2,0,0,0,0|1,0,0]=3 2567 B9R0.27 O=CC(O)C(O)C(O)CO MCULE-9562771067 [0,2,0,0,0,0|1,0,1]=4 2568 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-1120126008 [0,2,0,0,0,0|1,0,1]=4 2569 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-2723797968 [0,2,0,0,0,0|1,0,1]=4 2570 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1190384749 [0,2,0,0,0,0|1,0,1]=4 2571 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2266732421 [0,2,0,0,0,0|1,0,1]=4 2572 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-1097497548 [0,2,0,0,0,0|1,0,1]=4 2573 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-7909984167 [0,2,0,0,0,0|1,0,1]=4 2574 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO MCULE-1895838145 [0,2,0,0,0,0|1,0,1]=4 2575 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7112552451 [0,2,0,0,0,0|1,0,1]=4 2576 B9R0.27 O=C[C@H](O)[C@@H](F)[C@H](O)CO MCULE-6533146203 [0,2,0,0,0,0|1,0,1]=4 2577 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-2590073916 [0,2,0,0,0,0|1,0,1]=4 2578 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO MCULE-9133960721 [0,2,0,0,0,0|1,0,1]=4 2579 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2277980048 [0,2,0,0,0,0|1,0,1]=4 2580 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO MCULE-2928575905 [0,2,0,0,0,0|1,0,1]=4 2581 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO MCULE-4972279660 [0,2,0,0,0,0|1,0,1]=4 2582 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO MCULE-6692095263 [0,2,0,0,0,0|1,0,1]=4 2583 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-7503149757 [0,2,0,0,0,0|1,0,1]=4 2584 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-9189507099 [0,2,0,0,0,0|1,0,1]=4 2585 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO MCULE-9734013313 [0,2,0,0,0,0|1,0,1]=4 2586 B9R0.28 CCC(C)C(F)(F)C(=O)O MCULE-8813807658 [0,2,0,0,0,0|2,0,0]=4 2587 B9R0.28 CCC(O)C(F)(F)C(=O)O MCULE-8473962124 [0,2,0,0,0,0|1,0,0]=3 2588 B9R0.29 CCC(C)C(NC)C(=O)O MCULE-1957885665 [0,2,0,0,0,0|2,0,0]=4 2589 B9R0.29 CCC(C)C(OC)C(=O)O MCULE-7966384544 [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O MCULE-8364477291 [0,2,0,0,0,0|2,0,0]=4 2591 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O MCULE-6136891317 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-1871065287 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-3891615565 [0,2,0,0,0,0|2,0,0]=4 2594 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-9489341112 [0,2,0,0,0,0|2,0,0]=4 2595 B9R0.29 [C@H](C)(CC)[C@H](NC)C(=O)O MCULE-1663789159 [0,2,0,0,0,0|2,0,0]=4 2596 B9R0.32 CC(C)(CN)C(O)C(=O)O MCULE-1251426662 [0,2,0,0,0,0|1,0,0]=3 2597 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [0,2,0,0,0,0|2,0,0]=4 2598 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [0,2,0,0,0,0|2,0,0]=4 2599 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-2030759346 [0,2,0,0,0,0|2,0,0]=4 2600 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-8756866734 [0,2,0,0,0,0|2,0,0]=4 2601 B9R0.32 CCC(C)(C)C(O)C(=O)O MCULE-6783140520 [0,2,0,0,0,0|2,0,0]=4 2602 B9R0.32 CCC(C)(O)C(O)C(=O)O MCULE-6322081363 [0,2,0,0,0,0|1,0,0]=3 2603 B9R0.41 CCC(CC)C(C)C(=O)O MCULE-8487981910 [0,2,0,0,0,0|2,0,0]=4 2604 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-5833155408 [0,2,0,0,0,0|2,0,0]=4 2605 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-6712053086 [0,2,0,0,0,0|2,0,0]=4 2606 B9R0.41 CCC(CC)[C@@H](N)C(=O)O MCULE-2731098319 [0,2,0,0,0,0|2,0,0]=4 2607 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-2848963263 [0,2,0,0,0,0|2,0,0]=4 2608 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-7573557331 [0,2,0,0,0,0|2,0,0]=4 2609 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,2,0,0,0,0|1,0,1]=4 2610 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,2,0,0,0,0|1,0,0]=3 2611 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,2,0,0,0,0|1,0,0]=3 2612 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,2,0,0,0,0|1,0,0]=3 2613 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,2,0,0,0,0|1,0,0]=3 2614 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,2,0,0,0,0|1,0,0]=3 2615 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,2,0,0,0,0|1,0,0]=3 2616 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,2,0,0,0,0|1,0,0]=3 2617 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,2,0,0,0,0|1,0,0]=3 2618 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,2,0,0,0,0|1,0,0]=3 2619 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,2,0,0,0,0|1,0,0]=3 2620 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,2,0,0,0,0|1,0,0]=3 2621 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,2,0,0,0,0|1,0,0]=3 2622 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,2,0,0,0,0|2,0,0]=4 2623 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,2,0,0,0,0|2,0,0]=4 2624 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,2,0,0,0,0|2,0,0]=4 2625 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,2,0,0,0,0|2,0,0]=4 2626 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,2,0,0,0,0|2,0,0]=4 2627 B9R0.79 NC(=O)C(O)C(O)C(=O)N MCULE-9698453363 [0,2,0,0,0,0|1,0,1]=4 2628 B9R0.79 NC(C(=O)O)C(O)C(=O)O MCULE-9532787420 [0,2,0,0,0,0|1,0,1]=4 2629 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-1913101511 [0,2,0,0,0,0|1,0,1]=4 2630 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O MCULE-9488918896 [0,2,0,0,0,0|1,0,1]=4 2631 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-1129308393 [0,2,0,0,0,0|1,0,1]=4 2632 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2045308981 [0,2,0,0,0,0|1,0,1]=4 2633 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-2628563960 [0,2,0,0,0,0|1,0,1]=4 2634 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3711883524 [0,2,0,0,0,0|1,0,1]=4 2635 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-3867000095 [0,2,0,0,0,0|1,0,1]=4 2636 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4358223174 [0,2,0,0,0,0|1,0,1]=4 2637 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-4807487882 [0,2,0,0,0,0|1,0,1]=4 2638 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-5140635020 [0,2,0,0,0,0|1,0,1]=4 2639 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6522296758 [0,2,0,0,0,0|1,0,1]=4 2640 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-6821495270 [0,2,0,0,0,0|1,0,1]=4 2641 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-7561074998 [0,2,0,0,0,0|1,0,1]=4 2642 B9R0.79 O=C(O)C(O)C(O)C(=O)O MCULE-8089597216 [0,2,0,0,0,0|1,0,1]=4 2643 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-5751523258 [0,2,0,0,0,0|1,0,1]=4 2644 B9R0.79 O=C(O)C(O)[C@@H](O)C(=O)O MCULE-9550173577 [0,2,0,0,0,0|1,0,1]=4 2645 B9R0.79 O=C(O)C(O)[C@H](O)C(=O)O MCULE-7402521361 [0,2,0,0,0,0|1,0,1]=4 2646 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-2640391251 [0,2,0,0,0,0|1,0,1]=4 2647 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3329629643 [0,2,0,0,0,0|1,0,1]=4 2648 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-3643444072 [0,2,0,0,0,0|1,0,1]=4 2649 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-4107297969 [0,2,0,0,0,0|1,0,1]=4 2650 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6410123526 [0,2,0,0,0,0|1,0,1]=4 2651 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-6491788082 [0,2,0,0,0,0|1,0,1]=4 2652 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-8917357121 [0,2,0,0,0,0|1,0,1]=4 2653 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O MCULE-9727943205 [0,2,0,0,0,0|1,0,1]=4 2654 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-1568229930 [0,2,0,0,0,0|1,0,1]=4 2655 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2241188013 [0,2,0,0,0,0|1,0,1]=4 2656 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-2831813022 [0,2,0,0,0,0|1,0,1]=4 2657 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-3942804599 [0,2,0,0,0,0|1,0,1]=4 2658 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5431486019 [0,2,0,0,0,0|1,0,1]=4 2659 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O MCULE-5579731165 [0,2,0,0,0,0|1,0,1]=4 2660 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-7425540478 [0,2,0,0,0,0|1,0,1]=4 2661 B9R0.79 O=C([O-])C(O)C(O)C(=O)O MCULE-8338522673 [0,2,0,0,0,0|1,0,1]=4 2662 B9R0.79 O=C([O-])[C@@H](O)[C@H](O)C(=O)O MCULE-2803273406 [0,2,0,0,0,0|1,0,1]=4 2663 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-3429484887 [0,2,0,0,0,0|1,0,1]=4 2664 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-5385898917 [0,2,0,0,0,0|1,0,1]=4 2665 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O MCULE-9680288022 [0,2,0,0,0,0|1,0,1]=4 2666 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,2,0,0,0,0|2,0,0]=4 2667 B9R0.79 [C@@H](O)(C(=O)O)[C@H](O)C(=O)O MCULE-5798988872 [0,2,0,0,0,0|1,0,1]=4 2668 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O MCULE-9974976226 [0,2,0,0,0,0|1,0,1]=4 2669 B9R0.79 [C@H](O)(C(=O)[O-])[C@@H](O)C(=O)O MCULE-7449957572 [0,2,0,0,0,0|1,0,1]=4 2670 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,2,0,0,0,0|2,0,0]=4 2671 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,2,0,0,0,0|2,0,0]=4 2672 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [0,2,0,0,0,0|2,0,0]=4 2673 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,2,0,0,0,0|2,0,0]=4 2674 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,2,0,0,0,0|2,0,0]=4 2675 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,2,0,0,0,0|2,0,0]=4 2676 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,2,0,0,0,0|1,0,0]=3 2677 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,2,0,0,0,0|2,0,0]=4 2678 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,2,0,0,0,0|2,0,0]=4 2679 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,2,0,0,0,0|2,0,0]=4 2680 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,2,0,0,0,0|2,0,0]=4 2681 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,2,0,0,0,0|2,0,0]=4 2682 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,2,0,0,0,0|1,0,0]=3 2683 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,2,0,0,0,0|2,0,0]=4 2684 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,2,0,0,0,0|2,0,0]=4 2686 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,2,0,0,0,0|2,0,0]=4 2691 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,2,0,0,0,0|1,0,0]=3 2692 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,2,0,0,0,0|1,0,0]=3 2693 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,2,0,0,0,0|1,0,0]=3 2694 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,2,0,0,0,0|1,0,0]=3 2695 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,2,0,0,0,0|1,0,0]=3 2696 B9R0.4 [N-]=[N+]=NC[C@@H](N)CC(=O)O MCULE-2831741781 [0,2,0,0,0,0|1,0,1]=4 2697 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.34 C=CC(O)CC(=O)OCC MCULE-2209401732 [0,2,0,0,0,0|1,0,1]=4 2700 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9776508302 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9805416518 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.34 CCCC(N)CC(=O)OC MCULE-5451525631 [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.34 CCCC(N)CC(=O)OC MCULE-7351529051 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.34 CCCC(O)CC(=O)OC MCULE-5453080247 [0,2,0,0,0,0|1,0,0]=3 2705 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-1916315590 [0,2,0,0,0,0|2,0,0]=4 2706 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-6083487116 [0,2,0,0,0,0|2,0,0]=4 2707 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-7324647206 [0,2,0,0,0,0|2,0,0]=4 2708 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-8276275492 [0,2,0,0,0,0|2,0,0]=4 2709 B9R0.34 CCC[C@H](O)CC(=O)OC MCULE-6660623319 [0,2,0,0,0,0|1,0,0]=3 2710 B9R0.34 CCOC(=O)CC(=O)CN MCULE-4190018259 [0,2,0,0,0,0|0,0,2]=4 2711 B9R0.34 CCOC(=O)CC(=O)CN MCULE-5377403286 [0,2,0,0,0,0|0,0,2]=4 2712 B9R0.34 CCOC(=O)CC(C)CC MCULE-4014035383 [0,2,0,0,0,0|2,0,0]=4 2713 B9R0.34 CCOC(=O)CC(F)CI MCULE-8570199151 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.34 CCOC(=O)CC(N)CO MCULE-1698986423 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.34 CCOC(=O)CC(N)CO MCULE-3133814849 [0,2,0,0,0,0|2,0,0]=4 2716 B9R0.34 CCOC(=O)CC(O)CC MCULE-1917822917 [0,2,0,0,0,0|1,0,0]=3 2717 B9R0.34 CCOC(=O)CC(O)CCl MCULE-2262718063 [0,2,0,0,0,0|1,0,0]=3 2718 B9R0.34 CCOC(=O)CC(O)CCl MCULE-5360276844 [0,2,0,0,0,0|1,0,0]=3 2719 B9R0.34 CCOC(=O)CC(O)CI MCULE-6198631807 [0,2,0,0,0,0|1,0,0]=3 2720 B9R0.34 CCOC(=O)CC(O)CO MCULE-8896194093 [0,2,0,0,0,0|1,0,0]=3 2721 B9R0.34 CCOC(=O)C[C@@H](O)CBr MCULE-5715312033 [0,2,0,0,0,0|1,0,0]=3 2722 B9R0.34 CCOC(=O)C[C@@H](O)CBr MCULE-5871241096 [0,2,0,0,0,0|1,0,0]=3 2723 B9R0.34 CCOC(=O)C[C@@H](O)CCl MCULE-7631433830 [0,2,0,0,0,0|1,0,0]=3 2724 B9R0.34 CCOC(=O)C[C@@H](O)CCl MCULE-9413705440 [0,2,0,0,0,0|1,0,0]=3 2725 B9R0.34 CCOC(=O)C[C@H](O)C#N MCULE-7545910799 [0,2,0,0,0,0|0,0,2]=4 2726 B9R0.34 CCOC(=O)C[C@H](O)CBr MCULE-3856953058 [0,2,0,0,0,0|1,0,0]=3 2727 B9R0.34 CCOC(=O)C[C@H](O)CBr MCULE-8467993550 [0,2,0,0,0,0|1,0,0]=3 2728 B9R0.34 CCOC(=O)C[C@H](O)CCl MCULE-2512912579 [0,2,0,0,0,0|1,0,0]=3 2729 B9R0.34 CCOC(=O)C[C@H](O)CCl MCULE-4665153523 [0,2,0,0,0,0|1,0,0]=3 2730 B9R0.34 CCOC(=O)C[C@H](O)CI MCULE-7954654327 [0,2,0,0,0,0|1,0,0]=3 2731 B9R0.34 [C@@H](O)(CCC)CC(=O)OC MCULE-5886148746 [0,2,0,0,0,0|1,0,0]=3 2732 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,2,0,0,0,0|2,0,0]=4 2733 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,2,0,0,0,0|2,0,0]=4 2734 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,2,0,0,0,0|2,0,0]=4 2735 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,2,0,0,0,0|2,0,0]=4 2736 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,2,0,0,0,0|1,0,0]=3 2737 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,2,0,0,0,0|2,0,0]=4 2739 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,2,0,0,0,0|2,0,0]=4 2740 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,2,0,0,0,0|2,0,0]=4 2741 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,2,0,0,0,0|2,0,0]=4 2742 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,2,0,0,0,0|2,0,0]=4 2743 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,2,0,0,0,0|2,0,0]=4 2744 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,2,0,0,0,0|2,0,0]=4 2745 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [0,2,0,0,0,0|2,0,0]=4 2746 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,2,0,0,0,0|1,0,1]=4 2748 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [0,2,0,0,0,0|0,0,0]=2 2749 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,2,0,0,0,0|2,0,0]=4 2750 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,2,0,0,0,0|1,0,0]=3 2752 B9R0.58 C=CCC(C)(C)CC(=O)O MCULE-3859494910 [0,2,0,0,0,0|2,0,0]=4 2753 B9R0.58 CC(O)(CCO)CC(=O)O MCULE-1728546222 [0,2,0,0,0,0|1,0,0]=3 2754 B9R0.58 CC(O)(CCO)CC(=O)[O-] MCULE-2842724264 [0,2,0,0,0,0|1,0,1]=4 2755 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,2,0,0,0,0|2,0,0]=4 2756 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,2,0,0,0,0|1,0,0]=3 2757 B9R0.58 CNCC(C)(C)CC(=O)O MCULE-9673126610 [0,2,0,0,0,0|1,0,0]=3 2758 B9R0.58 COCC(C)(C)CC(=O)O MCULE-3020905492 [0,2,0,0,0,0|2,0,0]=4 2759 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-1986337120 [0,2,0,0,0,0|1,0,0]=3 2760 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-8476600793 [0,2,0,0,0,0|1,0,0]=3 2761 B9R0.26 COC(=O)CC(CN)OC MCULE-1711356157 [0,2,0,0,0,0|0,0,0]=2 2762 B9R0.26 COC(=O)CC(CN)OC MCULE-3322928470 [0,2,0,0,0,0|0,0,0]=2 2763 B9R0.26 COC(=O)CC(OC)OC MCULE-6254201521 [0,2,0,0,0,0|2,0,0]=4 2764 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,2,0,0,0,0|1,0,0]=3 2765 B9R0.39 CCC(CC(=O)O)C(C)C MCULE-3121416106 [0,2,0,0,0,0|2,0,0]=4 2766 B9R0.39 CC[C@H](CC(=O)O)C(C)C MCULE-7554516678 [0,2,0,0,0,0|2,0,0]=4 2767 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,2,0,0,0,0|2,0,0]=4 2770 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,2,0,0,0,0|2,0,0]=4 2771 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,2,0,0,0,0|2,0,0]=4 2772 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,2,0,0,0,0|2,0,0]=4 2773 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,2,0,0,0,0|2,0,0]=4 2774 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,2,0,0,0,0|1,0,1]=4 2775 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,2,0,0,0,0|0,0,0]=2 2776 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,2,0,0,0,0|0,0,0]=2 2777 B9R0.39 NCC(CC(=O)O)C(F)F MCULE-2405781497 [0,2,0,0,0,0|1,0,0]=3 2778 B9R0.39 NCC(CC(=O)O)C(F)F MCULE-7311956768 [0,2,0,0,0,0|1,0,0]=3 2779 B9R0.39 NCN(CC(=O)O)C(=O)O MCULE-9677383798 [0,2,0,0,0,0|1,0,0]=3 2780 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,2,0,0,0,0|1,0,0]=3 2781 B9R0.63 CC(C#N)(CO)CC(=O)O MCULE-7644811798 [0,2,0,0,0,0|0,0,2]=4 2782 B9R0.63 CC(CN)(CO)CC(=O)O MCULE-3238773867 [0,2,0,0,0,0|0,0,0]=2 2783 B9R0.63 CC(CN)(CO)CC(=O)O MCULE-9021134491 [0,2,0,0,0,0|0,0,0]=2 2784 B9R0.22 CCC(=O)CC(C)(O)CC MCULE-6647150636 [0,2,0,0,0,0|2,0,0]=4 2785 B9R0.22 CCC(C)(C)CC(=O)OC MCULE-9086898294 [0,2,0,0,0,0|2,0,0]=4 2786 B9R0.22 CCC(F)(F)CC(=O)OC MCULE-3813818214 [0,2,0,0,0,0|2,0,0]=4 2787 B9R0.22 COC(=O)CC(C)(C)CN MCULE-1994410298 [0,2,0,0,0,0|1,0,0]=3 2788 B9R0.22 COC(=O)CC(C)(C)CN MCULE-9711171520 [0,2,0,0,0,0|1,0,0]=3 2789 B9R0.22 COC(=O)CC(F)(F)CCl MCULE-2418347985 [0,2,0,0,0,0|2,0,0]=4 2790 B9R0.22 COC(C)(C)CC(O)CN MCULE-1794152445 [0,2,0,0,0,0|1,0,1]=4 2791 B9R0.10 CC(C)(C)C(N)CC(=O)O MCULE-6654125396 [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.10 CC(C)(C)C(N)CC(=O)O MCULE-6842051841 [0,2,0,0,0,0|2,0,0]=4 2793 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O MCULE-5408253054 [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O MCULE-6704022659 [0,2,0,0,0,0|2,0,0]=4 2795 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O MCULE-4579899518 [0,2,0,0,0,0|2,0,0]=4 2796 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O MCULE-4645205176 [0,2,0,0,0,0|2,0,0]=4 2797 B9R0.10 CC(CC(=O)O)C(C)(C)C MCULE-4114895909 [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.10 CC(CC(=O)O)C(C)(C)N MCULE-4308904314 [0,2,0,0,0,0|1,0,0]=3 2799 B9R0.10 CC(CC(=O)O)C(C)(C)N MCULE-6683372980 [0,2,0,0,0,0|1,0,0]=3 2800 B9R0.10 CC(CC(=O)O)C(C)(C)O MCULE-5216715591 [0,2,0,0,0,0|2,0,0]=4 2801 B9R0.10 CC(CC(=O)O)C(F)(F)F MCULE-3242469107 [0,2,0,0,0,0|2,0,0]=4 2802 B9R0.10 NC(=O)CC(O)C(F)(F)F MCULE-8136343573 [0,2,0,0,0,0|2,0,0]=4 2803 B9R0.10 NC(CC(=O)O)C(F)(F)F MCULE-1895408699 [0,2,0,0,0,0|2,0,0]=4 2804 B9R0.10 NC(CC(=O)O)C(F)(F)F MCULE-8626766835 [0,2,0,0,0,0|2,0,0]=4 2805 B9R0.10 NC(CC(=O)O)C(F)(F)F MCULE-9145718434 [0,2,0,0,0,0|2,0,0]=4 2806 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F MCULE-7887087837 [0,2,0,0,0,0|2,0,0]=4 2807 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F MCULE-8616386693 [0,2,0,0,0,0|2,0,0]=4 2808 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F MCULE-3328223896 [0,2,0,0,0,0|2,0,0]=4 2809 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F MCULE-8617897331 [0,2,0,0,0,0|2,0,0]=4 2810 B9R0.10 O=C(O)CC(O)C(Cl)(Cl)Cl MCULE-3017473082 [0,2,0,0,0,0|1,0,0]=3 2811 B9R0.10 O=C(O)CC(O)C(F)(F)F MCULE-2248514305 [0,2,0,0,0,0|1,0,0]=3 2812 B9R0.10 O=C(O)CC(O)C(F)(F)F MCULE-8674287224 [0,2,0,0,0,0|1,0,0]=3 2813 B9R0.10 O=C(O)C[C@@H](O)C(F)(F)F MCULE-6927162695 [0,2,0,0,0,0|1,0,0]=3 2814 B9R0.10 O=C(O)C[C@H](O)C(F)(F)F MCULE-9533775652 [0,2,0,0,0,0|1,0,0]=3 2815 B9R0.10 [C@@H](N)(CC(=O)O)C(C)(C)C MCULE-5327849230 [0,2,0,0,0,0|2,0,0]=4 2816 B9R0.11 CC(C)(CC(=O)O)C(F)F MCULE-3977275616 [0,2,0,0,0,0|2,0,0]=4 2817 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,2,0,0,0,0|1,0,1]=4 2818 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,2,0,0,0,0|1,0,1]=4 2819 B9R0.11 O=C(O)CC(F)(F)C(F)F MCULE-4330223528 [0,2,0,0,0,0|2,0,0]=4 2820 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [1,0,0,1,0,0|1,0,1]=4 2821 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [1,0,0,1,0,0|1,0,1]=4 2822 B7R1.1 NCC1CC=CC1 MCULE-4315281916 [1,0,0,1,0,0|2,0,0]=4 2823 B7R1.1 NCC1CCCO1 MCULE-2797516262 [1,0,0,1,0,0|1,0,1]=4 2824 B7R1.1 NCC1CCCO1 MCULE-5970677903 [1,0,0,1,0,0|1,0,1]=4 2825 B7R1.1 NCC1CCCO1 MCULE-6166235034 [1,0,0,1,0,0|1,0,1]=4 2826 B7R1.1 NCC1CCOC1 MCULE-4208746127 [1,0,0,1,0,0|1,0,1]=4 2827 B7R1.1 NCC1CCOC1 MCULE-6540410947 [1,0,0,1,0,0|1,0,1]=4 2828 B7R1.1 NCC1COCO1 MCULE-1657884847 [1,0,0,1,0,0|2,0,0]=4 2829 B7R1.1 NCC1COCO1 MCULE-9310217083 [1,0,0,1,0,0|2,0,0]=4 2830 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [1,0,0,1,0,0|1,0,1]=4 2831 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [1,0,0,1,0,0|1,0,1]=4 2832 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [1,0,0,1,0,0|1,0,1]=4 2833 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [1,0,0,1,0,0|1,0,1]=4 2834 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [1,0,0,1,0,0|1,0,1]=4 2835 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [1,0,0,1,0,0|1,0,1]=4 2836 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [1,0,0,1,0,0|1,0,1]=4 2837 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [1,0,0,1,0,0|1,0,1]=4 2838 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [1,0,0,1,0,0|1,0,1]=4 2839 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [1,0,0,1,0,0|1,0,1]=4 2840 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [1,0,0,1,0,0|1,0,1]=4 2841 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [1,0,0,1,0,0|1,0,1]=4 2842 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [1,0,0,1,0,0|1,0,1]=4 2843 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [1,0,0,1,0,0|1,0,1]=4 2844 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [1,0,0,1,0,0|1,0,1]=4 2845 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [1,0,0,1,0,0|1,0,1]=4 2846 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [1,0,0,1,0,0|1,0,0]=3 2847 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [1,0,0,1,0,0|1,0,0]=3 2848 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,0,0,1,0,0|0,0,0]=2 2849 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [1,0,0,1,0,0|2,0,0]=4 2850 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [1,0,0,1,0,0|2,0,0]=4 2851 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [1,0,0,1,0,0|1,0,1]=4 2852 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [1,0,0,1,0,0|1,0,1]=4 2853 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|2,0,0]=4 2854 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,0,0,1,0,0|1,0,0]=3 2855 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,0,0,1,0,0|2,0,0]=4 2856 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|2,0,0]=4 2857 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [1,0,0,1,0,0|2,0,0]=4 2858 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,0,0,1,0,0|1,0,0]=3 2859 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,0,0,1,0,0|1,0,0]=3 2860 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|2,0,0]=4 2861 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|2,0,0]=4 2862 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [1,0,0,1,0,0|2,0,0]=4 2863 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [1,0,0,1,0,0|2,0,0]=4 2864 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [1,0,0,1,0,0|1,0,1]=4 2865 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [1,0,0,1,0,0|1,0,1]=4 2866 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [1,0,0,1,0,0|1,0,1]=4 2867 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [1,0,0,1,0,0|1,0,1]=4 2868 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [1,0,0,1,0,0|1,0,1]=4 2869 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [1,0,0,1,0,0|1,0,1]=4 2870 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [1,0,0,1,0,0|1,0,1]=4 2871 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [1,0,0,1,0,0|1,0,1]=4 2872 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|2,0,0]=4 2873 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,0,0,1,0,0|1,0,0]=3 2874 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,0,0,1,0,0|1,0,0]=3 2875 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [1,0,0,1,0,0|2,0,0]=4 2876 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [1,0,0,1,0,0|1,0,1]=4 2877 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [1,0,0,1,0,0|1,0,1]=4 2878 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [1,0,0,1,0,0|1,0,1]=4 2879 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [1,0,0,1,0,0|1,0,1]=4 2880 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [1,0,0,1,0,0|1,0,1]=4 2881 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [1,0,0,1,0,0|1,0,1]=4 2882 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [1,0,0,1,0,0|1,0,1]=4 2883 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [1,0,0,1,0,0|1,0,1]=4 2884 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,0,0,1,0,0|2,0,0]=4 2885 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,0,0,1,0,0|2,0,0]=4 2886 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [1,0,0,1,0,0|1,0,0]=3 2887 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [1,0,0,1,0,0|1,0,0]=3 2888 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [1,0,0,1,0,0|1,0,0]=3 2889 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [1,0,0,1,0,0|1,0,0]=3 2890 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [1,0,0,1,0,0|2,0,0]=4 2891 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [1,0,0,1,0,0|2,0,0]=4 2892 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [1,0,0,1,0,0|2,0,0]=4 2893 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [1,0,0,1,0,0|2,0,0]=4 2894 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [1,0,0,1,0,0|1,0,0]=3 2895 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [1,0,0,1,0,0|1,0,0]=3 2896 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [1,0,0,1,0,0|1,0,0]=3 2897 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [1,0,0,1,0,0|1,0,0]=3 2898 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [1,0,0,1,0,0|2,0,0]=4 2899 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [1,0,0,1,0,0|2,0,0]=4 2900 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [1,0,0,1,0,0|2,0,0]=4 2901 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [1,0,0,1,0,0|2,0,0]=4 2902 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [1,0,0,1,0,0|1,0,0]=3 2903 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [1,0,0,1,0,0|1,0,0]=3 2904 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [1,0,0,1,0,0|1,0,0]=3 2905 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [1,0,0,1,0,0|1,0,0]=3 2906 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [1,0,0,1,0,0|1,0,0]=3 2907 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [1,0,0,1,0,0|1,0,0]=3 2908 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [1,0,0,1,0,0|2,0,0]=4 2909 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [1,0,0,1,0,0|2,0,0]=4 2910 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [1,0,0,1,0,0|2,0,0]=4 2911 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [1,0,0,1,0,0|2,0,0]=4 2912 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,1,0,0|0,0,2]=4 2913 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [1,0,0,1,0,0|1,0,1]=4 2914 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [1,0,0,1,0,0|1,0,1]=4 2915 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [1,0,0,1,0,0|1,0,1]=4 2916 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,0,0,1,0,0|0,0,0]=2 2917 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [1,0,0,1,0,0|0,1,0]=3 2918 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|1,0,0]=3 2919 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|1,0,0]=3 2920 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,0,0,1,0,0|2,0,0]=4 2921 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,0,0,1,0,0|2,0,0]=4 2922 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|1,0,0]=3 2923 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|2,0,0]=4 2924 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|2,0,0]=4 2925 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [1,0,0,1,0,0|0,0,2]=4 2926 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,0,0,1,0,0|0,0,0]=2 2927 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,0,0,1,0,0|0,0,0]=2 2928 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|1,0,0]=3 2929 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|1,0,0]=3 2930 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,0,0,1,0,0|0,0,0]=2 2931 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,0,0,1,0,0|0,0,0]=2 2932 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [1,0,0,1,0,0|0,1,0]=3 2933 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [1,0,0,1,0,0|0,1,0]=3 2934 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|1,0,0]=3 2935 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|1,0,0]=3 2936 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [1,0,0,1,0,0|1,0,1]=4 2937 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [1,0,0,1,0,0|1,0,1]=4 2938 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [1,0,0,1,0,0|1,0,1]=4 2939 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [1,0,0,1,0,0|1,0,1]=4 2940 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|2,0,0]=4 2941 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [1,0,0,1,0,0|1,0,1]=4 2942 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [1,0,0,1,0,0|1,0,1]=4 2943 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [1,0,0,1,0,0|1,0,1]=4 2944 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [1,0,0,1,0,0|1,0,1]=4 2945 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [1,0,0,1,0,0|1,0,1]=4 2946 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [1,0,0,1,0,0|1,0,1]=4 2947 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [1,0,0,1,0,0|1,0,1]=4 2948 B7R1.3 OC1C=CCNC1 MCULE-1616136732 [1,0,0,1,0,0|1,0,1]=4 2949 B7R1.3 OC1C=CCNC1 MCULE-6073391464 [1,0,0,1,0,0|1,0,1]=4 2950 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [1,0,0,1,0,0|2,0,0]=4 2951 B7R1.3 OC1CCCNC1 MCULE-4557845355 [1,0,0,1,0,0|1,0,1]=4 2952 B7R1.3 OC1CCCNC1 MCULE-6040312691 [1,0,0,1,0,0|1,0,1]=4 2953 B7R1.3 OC1CCOCC1 MCULE-3789534226 [1,0,0,1,0,0|1,0,1]=4 2954 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [1,0,0,1,0,0|1,0,1]=4 2955 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [1,0,0,1,0,0|1,0,1]=4 2956 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [1,0,0,1,0,0|1,0,1]=4 2957 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [1,0,0,1,0,0|1,0,1]=4 2958 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [1,0,0,1,0,0|1,0,1]=4 2959 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [1,0,0,1,0,0|1,0,1]=4 2960 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [1,0,0,1,0,0|1,0,1]=4 2961 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [1,0,0,1,0,0|1,0,1]=4 2962 B7R1.4 CC1OCCC1O MCULE-6904695721 [1,0,0,1,0,0|1,0,1]=4 2963 B7R1.4 NC1CCCC1O MCULE-1657591641 [1,0,0,1,0,0|1,0,1]=4 2964 B7R1.4 NC1CCCC1O MCULE-6248992494 [1,0,0,1,0,0|1,0,1]=4 2965 B7R1.4 NC1COCC1O MCULE-3115911209 [1,0,0,1,0,0|2,0,0]=4 2966 B7R1.4 NC1COCC1O MCULE-9837103399 [1,0,0,1,0,0|2,0,0]=4 2967 B7R1.4 NC1CSCC1O MCULE-4474934833 [1,0,0,1,0,0|2,0,0]=4 2968 B7R1.4 NC1CSCC1O MCULE-5059305463 [1,0,0,1,0,0|2,0,0]=4 2969 B7R1.4 NC1CSCC1O MCULE-8633680588 [1,0,0,1,0,0|2,0,0]=4 2970 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [1,0,0,1,0,0|1,0,1]=4 2971 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [1,0,0,1,0,0|1,0,1]=4 2972 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [1,0,0,1,0,0|1,0,1]=4 2973 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [1,0,0,1,0,0|1,0,1]=4 2974 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [1,0,0,1,0,0|1,0,1]=4 2975 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [1,0,0,1,0,0|1,0,1]=4 2976 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [1,0,0,1,0,0|1,0,1]=4 2977 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [1,0,0,1,0,0|1,0,1]=4 2978 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [1,0,0,1,0,0|1,0,1]=4 2979 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [1,0,0,1,0,0|1,0,1]=4 2980 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [1,0,0,1,0,0|1,0,1]=4 2981 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-2891920420 [1,0,0,1,0,0|2,0,0]=4 2982 B7R1.4 N[C@@H]1COC[C@@H]1O MCULE-5764643856 [1,0,0,1,0,0|2,0,0]=4 2983 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-1399984261 [1,0,0,1,0,0|2,0,0]=4 2984 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-2321912677 [1,0,0,1,0,0|2,0,0]=4 2985 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-4422404071 [1,0,0,1,0,0|2,0,0]=4 2986 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-7801515292 [1,0,0,1,0,0|2,0,0]=4 2987 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9112718041 [1,0,0,1,0,0|2,0,0]=4 2988 B7R1.4 N[C@@H]1COC[C@H]1O MCULE-9447703783 [1,0,0,1,0,0|2,0,0]=4 2989 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-4507133192 [1,0,0,1,0,0|2,0,0]=4 2990 B7R1.4 N[C@@H]1CSC[C@@H]1O MCULE-9327920188 [1,0,0,1,0,0|2,0,0]=4 2991 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-5323319055 [1,0,0,1,0,0|2,0,0]=4 2992 B7R1.4 N[C@@H]1CSC[C@H]1O MCULE-8008053411 [1,0,0,1,0,0|2,0,0]=4 2993 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [1,0,0,1,0,0|1,0,1]=4 2994 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [1,0,0,1,0,0|1,0,1]=4 2995 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [1,0,0,1,0,0|1,0,1]=4 2996 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [1,0,0,1,0,0|1,0,1]=4 2997 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [1,0,0,1,0,0|1,0,1]=4 2998 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [1,0,0,1,0,0|1,0,1]=4 2999 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [1,0,0,1,0,0|1,0,1]=4 3000 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [1,0,0,1,0,0|1,0,1]=4 3001 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [1,0,0,1,0,0|1,0,1]=4 3002 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-1604156911 [1,0,0,1,0,0|2,0,0]=4 3003 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-3157811195 [1,0,0,1,0,0|2,0,0]=4 3004 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-4377495223 [1,0,0,1,0,0|2,0,0]=4 3005 B7R1.4 N[C@H]1COC[C@@H]1O MCULE-8412403655 [1,0,0,1,0,0|2,0,0]=4 3006 B7R1.4 N[C@H]1COC[C@H]1O MCULE-5907972681 [1,0,0,1,0,0|2,0,0]=4 3007 B7R1.4 N[C@H]1COC[C@H]1O MCULE-7502895716 [1,0,0,1,0,0|2,0,0]=4 3008 B7R1.4 N[C@H]1COC[C@H]1O MCULE-8985833831 [1,0,0,1,0,0|2,0,0]=4 3009 B7R1.4 N[C@H]1COC[C@H]1O MCULE-9971794275 [1,0,0,1,0,0|2,0,0]=4 3010 B7R1.6 C=CCC1CNC1 MCULE-2499763329 [1,0,0,1,0,0|2,0,0]=4 3011 B7R1.6 C=CCC1CNC1 MCULE-7063989348 [1,0,0,1,0,0|2,0,0]=4 3012 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [1,0,0,1,0,0|2,0,0]=4 3013 B7R1.6 O=CCC1COC1 MCULE-3070858256 [1,0,0,1,0,0|2,0,0]=4 3014 B7R1.6 OCCC1CCO1 MCULE-3323265996 [1,0,0,1,0,0|1,0,1]=4 3015 B7R1.6 OCCC1CNC1 MCULE-1975411420 [1,0,0,1,0,0|1,0,1]=4 3016 B7R1.6 OCCC1CNC1 MCULE-4993890888 [1,0,0,1,0,0|1,0,1]=4 3017 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [1,0,0,1,0,0|1,0,1]=4 3018 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [1,0,0,1,0,0|1,0,1]=4 3019 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [1,0,0,1,0,0|1,0,1]=4 3020 B7R1.8 CC1CCC1C=O MCULE-9541644884 [1,0,0,1,0,0|2,0,0]=4 3021 B7R1.8 OCC1CCC1O MCULE-9764745395 [1,0,0,1,0,0|1,0,1]=4 3022 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [1,0,0,1,0,0|1,0,1]=4 3023 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [1,0,0,1,0,0|1,0,1]=4 3024 B7R1.9 NCC1CC1CO MCULE-2679526126 [1,0,0,1,0,0|1,0,1]=4 3025 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [1,0,0,1,0,0|1,0,1]=4 3026 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [1,0,0,1,0,0|1,0,1]=4 3027 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [1,0,0,1,0,0|2,0,0]=4 3028 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [1,0,0,1,0,0|2,0,0]=4 3029 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [1,0,0,1,0,0|1,0,0]=3 3030 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [1,0,0,1,0,0|1,0,0]=3 3031 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [1,0,0,1,0,0|1,0,0]=3 3032 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [1,0,0,1,0,0|1,0,1]=4 3033 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [1,0,0,1,0,0|1,0,1]=4 3034 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [1,0,0,1,0,0|1,0,1]=4 3035 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [1,0,0,1,0,0|1,0,1]=4 3036 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [1,0,0,1,0,0|1,0,1]=4 3037 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [1,0,0,1,0,0|1,0,1]=4 3038 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [1,0,0,1,0,0|2,0,0]=4 3039 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [1,0,0,1,0,0|2,0,0]=4 3040 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [1,0,0,1,0,0|2,0,0]=4 3041 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,1,0,0|2,0,0]=4 3042 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [1,0,0,1,0,0|2,0,0]=4 3043 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,1,0,0|2,0,0]=4 3044 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,1,0,0|2,0,0]=4 3045 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [1,0,0,1,0,0|1,0,0]=3 3046 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,1,0,0|2,0,0]=4 3047 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,1,0,0|2,0,0]=4 3048 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,1,0,0|2,0,0]=4 3049 B7R1.11 CC1C(C1C=O)Cl MCULE-4531897284 [1,0,0,1,0,0|2,0,0]=4 3050 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [1,0,0,1,0,0|2,0,0]=4 3051 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [1,0,0,1,0,0|2,0,0]=4 3052 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [1,0,0,1,0,0|2,0,0]=4 3053 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [1,0,0,1,0,0|2,0,0]=4 3054 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [1,0,0,1,0,0|2,0,0]=4 3055 B7R1.21 OCCC1(CC1)O MCULE-9575986419 [1,0,0,1,0,0|1,0,1]=4 3056 B7R1.22 NCC(O)C1CC1 MCULE-4953920778 [1,0,0,1,0,0|1,0,1]=4 3057 B7R1.22 NCC(O)C1CC1 MCULE-5905916662 [1,0,0,1,0,0|1,0,1]=4 3058 B7R1.25 CC1(CCO1)CN MCULE-1371408706 [1,0,0,1,0,0|1,0,1]=4 3059 B7R1.25 C[C@@]1(CCO1)CN MCULE-8755107224 [1,0,0,1,0,0|1,0,1]=4 3060 B7R1.25 NCC1(CCC1)O MCULE-1242555690 [1,0,0,1,0,0|1,0,1]=4 3061 B7R1.25 NCC1(COC1)O MCULE-6677052127 [1,0,0,1,0,0|2,0,0]=4 3062 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|1,0,1]=4 3063 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|2,0,0]=4 3064 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|2,0,0]=4 3065 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|1,0,1]=4 3066 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|2,0,0]=4 3067 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|2,0,0]=4 3068 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|1,0,0]=3 3069 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,0,0,1,0,0|1,1,0]=4 3070 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|1,0,0]=3 3071 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|1,0,0]=3 3072 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|1,0,0]=3 3073 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|1,0,0]=3 3074 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|1,0,0]=3 3075 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|1,0,0]=3 3076 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|1,0,0]=3 3077 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|1,0,0]=3 3078 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|1,0,0]=3 3079 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [1,0,0,1,0,0|2,0,0]=4 3080 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [1,0,0,1,0,0|2,0,0]=4 3081 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|1,0,0]=3 3082 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|1,0,0]=3 3083 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|1,0,0]=3 3084 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|1,0,0]=3 3085 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|1,0,0]=3 3086 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|1,0,0]=3 3087 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|1,0,0]=3 3088 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|1,0,0]=3 3089 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|1,0,0]=3 3090 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|1,0,0]=3 3091 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|1,0,0]=3 3092 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|1,0,0]=3 3093 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|1,0,0]=3 3094 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|1,0,0]=3 3095 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|1,0,0]=3 3096 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|1,0,0]=3 3097 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|1,0,0]=3 3098 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|1,0,0]=3 3099 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|1,0,0]=3 3100 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|1,0,0]=3 3101 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|1,0,0]=3 3102 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|1,0,0]=3 3103 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|1,0,0]=3 3104 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [1,0,0,1,0,0|2,0,0]=4 3105 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [1,0,0,1,0,0|2,0,0]=4 3106 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [1,0,0,1,0,0|2,0,0]=4 3107 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [1,0,0,1,0,0|2,0,0]=4 3108 B7R1.16 O=S1(=O)CC(C1)O MCULE-6917376424 [1,0,0,1,0,0|1,0,1]=4 3109 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|2,0,0]=4 3110 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|2,0,0]=4 3111 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|1,0,0]=3 3112 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|2,0,0]=4 3113 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|1,0,0]=3 3114 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|0,0,0]=2 3115 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|0,0,0]=2 3116 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [1,0,0,1,0,0|1,0,1]=4 3117 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|0,0,0]=2 3118 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|2,0,0]=4 3119 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|2,0,0]=4 3120 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|1,0,0]=3 3121 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|1,0,0]=3 3122 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|1,0,0]=3 3123 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|2,0,0]=4 3124 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|1,0,1]=4 3125 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|1,0,0]=3 3126 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|0,0,0]=2 3127 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|0,0,0]=2 3128 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|0,0,0]=2 3129 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|1,0,0]=3 3130 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|1,0,0]=3 3131 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|2,0,0]=4 3132 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|2,0,0]=4 3133 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|2,0,0]=4 3134 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|2,0,0]=4 3135 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|0,0,0]=2 3136 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|0,0,0]=2 3137 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|0,0,0]=2 3138 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|0,0,0]=2 3139 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|1,0,0]=3 3140 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|1,0,0]=3 3141 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|0,0,0]=2 3142 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|0,0,0]=2 3143 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|0,0,0]=2 3144 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|0,0,0]=2 3145 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|1,0,0]=3 3146 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|1,0,0]=3 3147 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,0,0,1,1,0|2,0,0]=4 3148 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,0,0,1,1,0|2,0,0]=4 3149 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,0,0,1,1,0|2,0,0]=4 3150 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,0,0,1,1,0|2,0,0]=4 3151 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,0,0,1,1,0|2,0,0]=4 3152 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,0,0,1,1,0|2,0,0]=4 3153 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,0,0,1,1,0|2,0,0]=4 3154 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,0,0,1,1,0|2,0,0]=4 3155 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,0,0,1,1,0|2,0,0]=4 3156 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,0,0,1,1,0|1,0,0]=3 3157 B9R1.1 NCC1CCC(=O)CC1 MCULE-6777974410 [0,0,0,1,0,1|2,0,0]=4 3158 B9R1.1 NCC1CCC(=O)CC1 MCULE-8440793392 [0,0,0,1,0,1|2,0,0]=4 3159 B9R1.1 NCC1CCC(=O)NC1 MCULE-5893065665 [0,0,0,1,0,1|2,0,0]=4 3160 B9R1.1 NCC1CCC(=O)NC1 MCULE-9881642861 [0,0,0,1,0,1|2,0,0]=4 3161 B9R1.1 NCC1CCC(CO1)O MCULE-3286854000 [0,0,0,1,0,1|1,0,1]=4 3162 B9R1.1 NCC1CNC(=O)CO1 MCULE-1373630821 [0,0,0,1,0,1|1,0,0]=3 3163 B9R1.1 NCC1CNC(=O)CO1 MCULE-2564136433 [0,0,0,1,0,1|1,0,0]=3 3164 B9R1.1 NC[C@H]1CCC(=O)NC1 MCULE-9489755430 [0,0,0,1,0,1|2,0,0]=4 3165 B9R1.1 O=C1COC(CN1)CBr MCULE-8897613695 [0,0,0,1,0,1|2,0,0]=4 3166 B9R1.1 O=C1COC(CN1)CO MCULE-3703451145 [0,0,0,1,0,1|2,0,0]=4 3167 B9R1.1 O=C1COC(CN1)CO MCULE-5925278805 [0,0,0,1,0,1|2,0,0]=4 3168 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-1871269946 [0,0,0,1,0,1|2,0,0]=4 3169 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-9723228936 [0,0,0,1,0,1|2,0,0]=4 3170 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-2317836867 [0,0,0,1,0,1|2,0,0]=4 3171 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-9180023061 [0,0,0,1,0,1|2,0,0]=4 3172 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,0,0,1,0,1|2,0,0]=4 3173 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,0,0,1,0,1|2,0,0]=4 3174 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,0,0,1,0,1|2,0,0]=4 3175 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,0,0,1,0,1|2,0,0]=4 3176 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,0,0,1,0,1|2,0,0]=4 3177 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,0,0,1,0,1|2,0,0]=4 3178 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,1|2,0,0]=4 3179 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,1,0,1|2,0,0]=4 3180 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,1,0,1|2,0,0]=4 3181 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,1|2,0,0]=4 3182 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,1|1,0,0]=3 3183 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,1|1,0,0]=3 3184 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,1,0,1|2,0,0]=4 3185 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,1,0,1|2,0,0]=4 3186 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,1,0,1|2,0,0]=4 3187 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,1|2,0,0]=4 3188 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,1|2,0,0]=4 3189 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,1,0,1|2,0,0]=4 3190 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,1,0,1|2,0,0]=4 3191 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,1,0,1|2,0,0]=4 3192 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,1,0,1|2,0,0]=4 3193 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,1,0,1|2,0,0]=4 3194 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,1,0,1|2,0,0]=4 3195 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,1|1,0,0]=3 3196 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,1|1,0,0]=3 3197 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,1|1,0,0]=3 3198 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,1|1,0,0]=3 3199 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,1,0,1|2,0,0]=4 3200 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,1,0,1|2,0,0]=4 3201 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,1,0,1|2,0,0]=4 3202 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,1,0,1|2,0,0]=4 3203 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,1|1,0,0]=3 3204 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,1|1,0,0]=3 3205 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,1|1,0,0]=3 3206 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,1|1,0,0]=3 3207 B9R1.35 NC(=O)C1CC(CN1)F MCULE-8271084148 [0,0,0,1,0,1|2,0,0]=4 3208 B9R1.35 NC(=O)C1CC(CN1)F MCULE-9864087367 [0,0,0,1,0,1|2,0,0]=4 3209 B9R1.35 NC(=O)C1CC(CN1)O MCULE-8628888959 [0,0,0,1,0,1|1,0,0]=3 3210 B9R1.35 NC(=O)C1CC(CN1)O MCULE-9327040437 [0,0,0,1,0,1|1,0,0]=3 3211 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-1115995515 [0,0,0,1,0,1|2,0,0]=4 3212 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-3958905536 [0,0,0,1,0,1|2,0,0]=4 3213 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-5421731805 [0,0,0,1,0,1|2,0,0]=4 3214 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-9864372515 [0,0,0,1,0,1|2,0,0]=4 3215 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-1506534259 [0,0,0,1,0,1|1,0,0]=3 3216 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-4335155413 [0,0,0,1,0,1|1,0,0]=3 3217 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2111867079 [0,0,0,1,0,1|2,0,0]=4 3218 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2486268743 [0,0,0,1,0,1|2,0,0]=4 3219 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-8625619596 [0,0,0,1,0,1|2,0,0]=4 3220 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-1442980635 [0,0,0,1,0,1|1,0,0]=3 3221 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-4854132547 [0,0,0,1,0,1|1,0,0]=3 3222 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-8175631848 [0,0,0,1,0,1|1,0,0]=3 3223 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-9092665787 [0,0,0,1,0,1|1,0,0]=3 3224 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-1212665796 [0,0,0,1,0,1|1,0,0]=3 3225 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2172080185 [0,0,0,1,0,1|1,0,0]=3 3226 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2463066874 [0,0,0,1,0,1|1,0,0]=3 3227 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-7245012102 [0,0,0,1,0,1|1,0,0]=3 3228 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [0,0,0,1,0,1|2,0,0]=4 3229 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [0,0,0,1,0,1|2,0,0]=4 3230 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,1,0,1|2,0,0]=4 3231 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,1,0,1|2,0,0]=4 3232 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,1|1,0,0]=3 3233 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,1|1,0,0]=3 3234 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,1,0,1|2,0,0]=4 3235 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,1,0,1|2,0,0]=4 3236 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,1,0,1|2,0,0]=4 3237 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,1,0,1|2,0,0]=4 3238 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,1,0,1|2,0,0]=4 3239 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,1,0,1|2,0,0]=4 3240 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,1,0,1|2,0,0]=4 3241 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,1,0,1|2,0,0]=4 3242 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,1|1,0,0]=3 3243 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,1|1,0,0]=3 3244 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,1|1,0,0]=3 3245 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,1|1,0,0]=3 3246 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,1|1,0,0]=3 3247 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,1|1,0,0]=3 3248 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,1|1,0,0]=3 3249 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,1|1,0,0]=3 3250 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,1,0,1|2,0,0]=4 3251 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,1,0,1|2,0,0]=4 3252 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,1,0,1|2,0,0]=4 3253 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,1,0,1|2,0,0]=4 3254 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,1,0,1|2,0,0]=4 3255 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,1,0,1|2,0,0]=4 3256 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,1,0,1|2,0,0]=4 3257 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,1,0,1|2,0,0]=4 3258 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,1,0,1|2,0,0]=4 3259 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,1,0,1|2,0,0]=4 3260 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,1|1,0,0]=3 3261 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,1|1,0,0]=3 3262 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,1|1,0,0]=3 3263 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,1|1,0,0]=3 3264 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,1|1,0,0]=3 3265 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,1|1,0,0]=3 3266 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,1|1,0,0]=3 3267 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,1|1,0,0]=3 3268 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,1|1,0,0]=3 3269 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,0,0,1,0,1|1,0,1]=4 3270 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,1|1,0,0]=3 3271 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,1|1,0,0]=3 3272 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,1|1,0,0]=3 3273 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,1|0,0,0]=2 3274 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,1|0,0,0]=2 3275 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,1|0,1,0]=3 3276 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,1|0,1,0]=3 3277 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,1,0,1|2,0,0]=4 3278 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,1,0,1|2,0,0]=4 3279 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,1|1,0,0]=3 3280 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,0,0,1,0,1|1,0,0]=3 3281 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,1|0,0,0]=2 3282 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,1|0,1,0]=3 3283 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,1|0,1,0]=3 3284 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,1|1,0,0]=3 3285 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,1|1,0,0]=3 3286 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,1|1,0,0]=3 3287 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,1|1,0,0]=3 3288 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,1|1,0,0]=3 3289 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,1|1,0,0]=3 3290 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,1|1,0,0]=3 3291 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,1|1,0,0]=3 3292 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,1|1,0,0]=3 3293 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,1|0,0,0]=2 3294 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,1|0,0,0]=2 3295 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,1|0,0,0]=2 3296 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,1|0,0,0]=2 3297 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,1|0,0,0]=2 3298 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,1|0,1,0]=3 3299 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,1|0,1,0]=3 3300 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,1|0,1,0]=3 3301 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,1|0,1,0]=3 3302 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,1|1,0,0]=3 3303 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,1|1,0,0]=3 3304 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,1|1,0,0]=3 3305 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,1|1,0,0]=3 3306 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,1|0,0,0]=2 3307 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,1|0,0,0]=2 3308 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,1|0,0,0]=2 3309 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,1|0,0,0]=2 3310 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,1|0,1,0]=3 3311 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,1|0,1,0]=3 3312 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,1|0,1,0]=3 3313 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,1|0,1,0]=3 3314 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,1|0,1,0]=3 3315 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,1|0,1,0]=3 3316 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,1|1,0,0]=3 3317 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,1|1,0,0]=3 3318 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,1|1,0,0]=3 3319 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,1|1,0,0]=3 3320 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,1|1,0,0]=3 3321 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,1|1,0,0]=3 3322 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,1|0,0,0]=2 3323 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,1|0,0,0]=2 3324 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,1|0,0,0]=2 3325 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,1|0,0,0]=2 3326 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,1|0,0,0]=2 3327 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,1|1,0,0]=3 3328 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,1|1,0,0]=3 3329 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,1|1,0,0]=3 3330 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,1|1,0,0]=3 3331 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,1|0,0,0]=2 3332 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,1|0,0,0]=2 3333 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,1|0,0,0]=2 3334 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,1|0,0,0]=2 3335 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,1,0,1|0,0,2]=4 3336 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,1,0,1|0,0,2]=4 3337 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,1,0,1|0,0,2]=4 3338 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,1,0,1|0,0,2]=4 3339 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,1,0,1|0,0,2]=4 3340 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,1,0,1|0,0,2]=4 3341 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,1,0,1|0,0,2]=4 3342 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,1,0,1|0,0,2]=4 3343 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,1|0,0,0]=2 3344 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,1,0,1|2,0,0]=4 3345 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,1,0,1|2,0,0]=4 3346 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2355223336 [0,0,0,1,0,1|2,0,0]=4 3347 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2483830451 [0,0,0,1,0,1|2,0,0]=4 3348 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,1,0,1|1,0,0]=3 3349 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,1,0,1|1,0,0]=3 3350 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,1,0,1|0,1,0]=3 3351 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,1,0,1|1,0,0]=3 3352 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,1,0,1|1,0,0]=3 3353 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,1|0,0,0]=2 3354 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,0,0,1,0,1|2,0,0]=4 3355 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,0,0,1,0,1|2,0,0]=4 3356 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,0,0,1,0,1|2,0,0]=4 3357 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,0,0,1,0,1|2,0,0]=4 3358 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,0,0,1,0,1|2,0,0]=4 3359 B9R1.84 CC(=O)NCC1CNC1 MCULE-2902079896 [0,0,0,1,0,1|2,0,0]=4 3360 B9R1.84 CC(=O)NCC1CNC1 MCULE-8064528419 [0,0,0,1,0,1|2,0,0]=4 3361 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,0,0,1,0,1|2,0,0]=4 3362 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [0,0,0,1,0,1|2,0,0]=4 3363 B9R1.84 O=C(O)CNC1COC1 MCULE-3211874256 [0,0,0,1,0,1|2,0,0]=4 3364 B9R1.84 O=C(O)CNC1COC1 MCULE-8317257994 [0,0,0,1,0,1|2,0,0]=4 3365 B9R1.84 O=C(O)COC1CCC1 MCULE-3354883487 [0,0,0,1,0,1|2,0,0]=4 3366 B9R1.84 O=C(O)COC1CNC1 MCULE-6412418210 [0,0,0,1,0,1|1,0,0]=3 3367 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,0,0,1,0,1|2,0,0]=4 3368 B9R1.95 CC(=O)N1CC(C1)CN MCULE-7914814524 [0,0,0,1,0,1|2,0,0]=4 3369 B9R1.95 CC(=O)N1CC(C1)CN MCULE-9875135935 [0,0,0,1,0,1|2,0,0]=4 3370 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,0,0,1,0,1|2,0,0]=4 3371 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,0,0,1,0,1|2,0,0]=4 3372 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,0,0,1,0,1|1,0,0]=3 3373 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,0,0,1,0,1|1,0,0]=3 3374 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,0,0,1,0,1|1,0,0]=3 3375 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,0,0,1,0,1|1,0,0]=3 3376 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,0,0,1,0,1|2,0,0]=4 3377 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,0,0,1,0,1|2,0,0]=4 3378 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,0,0,1,0,1|2,0,0]=4 3379 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,0,0,1,0,1|2,0,0]=4 3380 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,0,0,1,0,1|2,0,0]=4 3381 B9R1.125 CC1(CCC(=O)N1)CN MCULE-5027285094 [0,0,0,1,0,1|2,0,0]=4 3382 B9R1.125 CC1(CCC(=O)N1)CN MCULE-6327832088 [0,0,0,1,0,1|2,0,0]=4 3383 B9R1.125 CC1(COC(=O)N1)CN MCULE-6928291098 [0,0,0,1,0,1|2,0,0]=4 3384 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,0,0,1,0,1|2,0,0]=4 3385 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,0,0,1,0,1|2,0,0]=4 3386 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,0,0,1,0,1|2,0,0]=4 3387 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,0,0,1,0,1|1,0,0]=3 3388 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,1,0,0|2,0,0]=4 3389 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,1,0,0|2,0,0]=4 3390 B9R1.37 CC1C(CC(=O)N1C)O MCULE-1269195673 [0,1,0,1,0,0|2,0,0]=4 3391 B9R1.37 CC1CN(C(=O)C1N)O MCULE-1541937372 [0,1,0,1,0,0|2,0,0]=4 3392 B9R1.37 CC1CN(C(=O)C1N)O MCULE-3876251131 [0,1,0,1,0,0|2,0,0]=4 3393 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,1,0,1,0,0|1,0,0]=3 3394 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-1789519376 [0,1,0,1,0,0|2,0,0]=4 3395 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-4750685085 [0,1,0,1,0,0|2,0,0]=4 3396 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7635519729 [0,1,0,1,0,0|2,0,0]=4 3397 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7984264167 [0,1,0,1,0,0|2,0,0]=4 3398 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8015807838 [0,1,0,1,0,0|2,0,0]=4 3399 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8810381823 [0,1,0,1,0,0|2,0,0]=4 3400 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1I)O MCULE-8523724511 [0,1,0,1,0,0|2,0,0]=4 3401 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,1,0,1,0,0|1,0,0]=3 3402 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6099115683 [0,1,0,1,0,0|2,0,0]=4 3403 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6659955179 [0,1,0,1,0,0|2,0,0]=4 3404 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-7192019909 [0,1,0,1,0,0|1,0,1]=4 3405 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-9128030642 [0,1,0,1,0,0|1,0,1]=4 3406 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,1,0,1,0,0|2,0,0]=4 3407 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [0,1,0,1,0,0|1,0,0]=3 3408 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [0,1,0,1,0,0|1,0,0]=3 3409 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [0,1,0,1,0,0|1,0,0]=3 3410 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [0,1,0,1,0,0|1,0,0]=3 3411 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [0,1,0,1,0,0|2,0,0]=4 3412 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [0,1,0,1,0,0|2,0,0]=4 3413 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [0,1,0,1,0,0|2,0,0]=4 3414 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [0,1,0,1,0,0|1,0,0]=3 3415 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [0,1,0,1,0,0|1,0,0]=3 3416 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [0,1,0,1,0,0|1,0,0]=3 3417 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [0,1,0,1,0,0|2,0,0]=4 3418 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [0,1,0,1,0,0|1,0,0]=3 3419 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [0,1,0,1,0,0|1,0,0]=3 3420 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [0,1,0,1,0,0|2,0,0]=4 3421 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [0,1,0,1,0,0|2,0,0]=4 3422 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [0,1,0,1,0,0|2,0,0]=4 3423 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [0,1,0,1,0,0|2,0,0]=4 3424 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [0,1,0,1,0,0|2,0,0]=4 3425 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [0,1,0,1,0,0|1,0,0]=3 3426 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [0,1,0,1,0,0|1,0,0]=3 3427 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [0,1,0,1,0,0|1,0,0]=3 3428 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [0,1,0,1,0,0|2,0,0]=4 3429 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [0,1,0,1,0,0|2,0,0]=4 3430 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [0,1,0,1,0,0|2,0,0]=4 3431 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [0,1,0,1,0,0|2,0,0]=4 3432 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [0,1,0,1,0,0|1,0,0]=3 3433 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [0,1,0,1,0,0|1,0,0]=3 3434 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [0,1,0,1,0,0|2,0,0]=4 3435 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [0,1,0,1,0,0|1,0,0]=3 3436 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [0,1,0,1,0,0|1,0,0]=3 3437 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [0,1,0,1,0,0|1,0,0]=3 3438 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [0,1,0,1,0,0|1,0,0]=3 3439 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [0,1,0,1,0,0|2,0,0]=4 3440 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [0,1,0,1,0,0|2,0,0]=4 3441 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [0,1,0,1,0,0|1,0,0]=3 3442 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [0,1,0,1,0,0|1,0,0]=3 3443 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [0,1,0,1,0,0|1,0,0]=3 3444 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [0,1,0,1,0,0|2,0,0]=4 3445 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [0,1,0,1,0,0|2,0,0]=4 3446 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [0,1,0,1,0,0|2,0,0]=4 3447 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [0,1,0,1,0,0|2,0,0]=4 3448 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [0,1,0,1,0,0|2,0,0]=4 3449 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [0,1,0,1,0,0|2,0,0]=4 3450 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [0,1,0,1,0,0|2,0,0]=4 3451 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [0,1,0,1,0,0|2,0,0]=4 3452 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [0,1,0,1,0,0|2,0,0]=4 3453 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [0,1,0,1,0,0|2,0,0]=4 3454 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [0,1,0,1,0,0|1,0,0]=3 3455 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [0,1,0,1,0,0|1,0,0]=3 3456 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [0,1,0,1,0,0|1,0,0]=3 3457 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [0,1,0,1,0,0|1,0,0]=3 3458 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [0,1,0,1,0,0|2,0,0]=4 3459 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [0,1,0,1,0,0|2,0,0]=4 3460 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [0,1,0,1,0,0|2,0,0]=4 3461 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [0,1,0,1,0,0|2,0,0]=4 3462 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [0,1,0,1,0,0|2,0,0]=4 3463 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [0,1,0,1,0,0|2,0,0]=4 3464 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [0,1,0,1,0,0|2,0,0]=4 3465 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [0,1,0,1,0,0|2,0,0]=4 3466 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [0,1,0,1,0,0|2,0,0]=4 3467 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [0,1,0,1,0,0|2,0,0]=4 3468 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [0,1,0,1,0,0|2,0,0]=4 3469 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [0,1,0,1,0,0|2,0,0]=4 3470 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [0,1,0,1,0,0|2,0,0]=4 3471 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [0,1,0,1,0,0|2,0,0]=4 3472 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [0,1,0,1,0,0|2,0,0]=4 3473 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [0,1,0,1,0,0|2,0,0]=4 3474 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [0,1,0,1,0,0|1,0,0]=3 3475 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [0,1,0,1,0,0|0,0,0]=2 3476 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [0,1,0,1,0,0|0,0,0]=2 3477 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [0,1,0,1,0,0|2,0,0]=4 3478 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [0,1,0,1,0,0|1,0,0]=3 3479 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [0,1,0,1,0,0|1,0,0]=3 3480 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [0,1,0,1,0,0|0,0,0]=2 3481 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [0,1,0,1,0,0|0,0,0]=2 3482 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [0,1,0,1,0,0|0,0,0]=2 3483 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [0,1,0,1,0,0|1,0,0]=3 3484 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [0,1,0,1,0,0|1,0,0]=3 3485 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [0,1,0,1,0,0|0,0,0]=2 3486 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [0,1,0,1,0,0|0,0,0]=2 3487 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [0,1,0,1,0,0|0,0,0]=2 3488 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [0,1,0,1,0,0|0,0,0]=2 3489 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [0,1,0,1,0,0|0,0,0]=2 3490 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [0,1,0,1,0,0|1,0,0]=3 3491 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [0,1,0,1,0,0|1,0,0]=3 3492 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [0,1,0,1,0,0|0,0,0]=2 3493 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [0,1,0,1,0,0|0,0,0]=2 3494 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [0,1,0,1,0,0|0,0,0]=2 3495 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [0,1,0,1,0,0|0,0,0]=2 3496 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [0,1,0,1,0,0|0,0,1]=3 3497 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [0,1,0,1,0,0|1,0,0]=3 3498 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [0,1,0,1,0,0|1,0,0]=3 3499 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [0,1,0,1,0,0|1,0,0]=3 3500 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [0,1,0,1,0,0|1,0,0]=3 3501 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [0,1,0,1,0,0|1,0,0]=3 3502 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [0,1,0,1,0,0|0,0,0]=2 3503 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [0,1,0,1,0,0|0,0,0]=2 3504 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [0,1,0,1,0,0|0,0,0]=2 3505 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [0,1,0,1,0,0|1,0,0]=3 3506 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [0,1,0,1,0,0|0,0,0]=2 3507 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [0,1,0,1,0,0|0,0,0]=2 3508 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [0,1,0,1,0,0|0,0,0]=2 3509 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [0,1,0,1,0,0|0,0,0]=2 3510 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [0,1,0,1,0,0|0,0,0]=2 3511 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [0,1,0,1,0,0|0,0,0]=2 3512 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [0,1,0,1,0,0|0,0,0]=2 3513 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [0,1,0,1,0,0|0,0,0]=2 3514 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [0,1,0,1,0,0|0,0,0]=2 3515 B9R1.81 COC(=O)C1CCC1N MCULE-4693145444 [0,1,0,1,0,0|2,0,0]=4 3516 B9R1.81 COC(=O)C1CCC1N MCULE-6349653007 [0,1,0,1,0,0|2,0,0]=4 3517 B9R1.81 COC(=O)C1CCC1N MCULE-9208418191 [0,1,0,1,0,0|2,0,0]=4 3518 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3799679764 [0,1,0,1,0,0|2,0,0]=4 3519 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3866135678 [0,1,0,1,0,0|2,0,0]=4 3520 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-5783135311 [0,1,0,1,0,0|2,0,0]=4 3521 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7358443789 [0,1,0,1,0,0|2,0,0]=4 3522 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7787337160 [0,1,0,1,0,0|2,0,0]=4 3523 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-9352998200 [0,1,0,1,0,0|2,0,0]=4 3524 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-5985438267 [0,1,0,1,0,0|2,0,0]=4 3525 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-6739441737 [0,1,0,1,0,0|2,0,0]=4 3526 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8406342632 [0,1,0,1,0,0|2,0,0]=4 3527 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8945046053 [0,1,0,1,0,0|2,0,0]=4 3528 B9R1.81 COC(=O)[C@H]1CC[C@H]1N MCULE-7383295864 [0,1,0,1,0,0|2,0,0]=4 3529 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,1,0,1,0,0|2,0,0]=4 3530 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [0,1,0,1,0,0|1,0,0]=3 3531 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [0,1,0,1,0,0|1,0,0]=3 3532 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [0,1,0,1,0,0|1,0,0]=3 3533 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [0,1,0,1,0,0|1,0,0]=3 3534 B9R1.96 N#CC1CCC1C(=O)O MCULE-1939970378 [0,1,0,1,0,0|2,0,0]=4 3535 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [0,1,0,1,0,0|1,0,0]=3 3536 B9R1.96 O=C([O-])C1CCC1CO MCULE-8666321081 [0,1,0,1,0,0|1,0,1]=4 3537 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,1,0,1,0,0|2,0,0]=4 3538 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,1,0,1,0,0|2,0,0]=4 3539 B9R1.110 CC(C(=O)N)C1CNC1 MCULE-8664603287 [0,1,0,1,0,0|2,0,0]=4 3540 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,1,0,1,0,0|2,0,0]=4 3541 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,1,0,1,0,0|2,0,0]=4 3542 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,1,0,1,0,0|1,0,0]=3 3543 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,1,0,1,0,0|1,0,0]=3 3544 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,1,0,1,0,0|1,0,0]=3 3545 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,1,0,1,0,0|2,0,0]=4 3546 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,1,0,1,0,0|2,0,0]=4 3547 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,1,0,1,0,0|2,0,0]=4 3548 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,1,0,1,0,0|2,0,0]=4 3549 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,1,0,1,0,0|2,0,0]=4 3550 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,1,0,1,0,0|2,0,0]=4 3551 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,1,0,1,0,0|2,0,0]=4 3552 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,1,0,1,0,0|2,0,0]=4 3553 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,1,0,1,0,0|2,0,0]=4 3554 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,1,0,1,0,0|2,0,0]=4 3555 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,1,0,1,0,0|2,0,0]=4 3556 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,1,0,1,0,0|2,0,0]=4 3557 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,1,0,1,0,0|2,0,0]=4 3558 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,1,0,1,0,0|2,0,0]=4 3559 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,1,0,1,0,0|2,0,0]=4 3560 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,1,0,1,0,0|2,0,0]=4 3561 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,1,0,1,0,0|2,0,0]=4 3562 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,1,0,1,0,0|2,0,0]=4 3563 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,1,0,1,0,0|2,0,0]=4 3564 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,1,0,1,0,0|2,0,0]=4 3565 B9R1.111 CC(C(=O)O)C1(CC1)N MCULE-1517881247 [0,1,0,1,0,0|2,0,0]=4 3566 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-6145936175 [0,1,0,1,0,0|2,0,0]=4 3567 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-7535494625 [0,1,0,1,0,0|2,0,0]=4 3568 B9R1.111 CC1(CC1)C(O)C(=O)O MCULE-9368385665 [0,1,0,1,0,0|2,0,0]=4 3569 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-1811208675 [0,1,0,1,0,0|2,0,0]=4 3570 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-7721561513 [0,1,0,1,0,0|2,0,0]=4 3571 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-6983168418 [0,1,0,1,0,0|1,0,0]=3 3572 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-8148582012 [0,1,0,1,0,0|1,0,0]=3 3573 B9R1.111 N[C@@H](C(=O)O)C1(CC1)O MCULE-3141771978 [0,1,0,1,0,0|1,0,0]=3 3574 B9R1.111 N[C@H](C(=O)O)C1(CC1)O MCULE-9602505956 [0,1,0,1,0,0|1,0,0]=3 3575 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-5173033031 [0,1,0,1,0,0|2,0,0]=4 3576 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-8799551410 [0,1,0,1,0,0|2,0,0]=4 3577 B9R1.132 CN1C(=O)OCC1CN MCULE-6042520549 [0,1,0,1,0,0|2,0,0]=4 3578 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [0,1,0,1,0,0|2,0,0]=4 3579 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [0,1,0,1,0,0|2,0,0]=4 3580 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [0,1,0,1,0,0|2,0,0]=4 3581 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [0,1,0,1,0,0|2,0,0]=4 3582 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [0,1,0,1,0,0|2,0,0]=4 3583 B9R1.7 NCCC1CNC(=O)C1 MCULE-8054842830 [0,1,0,1,0,0|2,0,0]=4 3584 B9R1.7 NCCC1CNC(=O)C1 MCULE-8879419553 [0,1,0,1,0,0|2,0,0]=4 3585 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,1,0,1,0,0|2,0,0]=4 3586 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,1,0,1,0,0|2,0,0]=4 3587 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,1,0,1,0,0|1,0,0]=3 3588 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [0,1,0,1,0,0|2,0,0]=4 3589 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [0,1,0,1,0,0|2,0,0]=4 3590 B9R1.13 CC(=O)CC1OCCO1 MCULE-2632722648 [0,1,0,1,0,0|2,0,0]=4 3591 B9R1.13 NC(=O)CC1CCNC1 MCULE-7856346382 [0,1,0,1,0,0|2,0,0]=4 3592 B9R1.13 NC(=O)CC1CCNC1 MCULE-9708437402 [0,1,0,1,0,0|2,0,0]=4 3593 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [0,1,0,1,0,0|2,0,0]=4 3594 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [0,1,0,1,0,0|2,0,0]=4 3595 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [0,1,0,1,0,0|2,0,0]=4 3596 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [0,1,0,1,0,0|2,0,0]=4 3597 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,1,0,1,0,0|2,0,0]=4 3598 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,1,0,1,0,0|2,0,0]=4 3599 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [0,1,0,1,0,0|1,0,0]=3 3600 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,1,0,1,0,0|1,0,0]=3 3601 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,1,0,1,0,0|1,0,0]=3 3602 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [0,1,0,1,0,0|1,0,0]=3 3603 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [0,1,0,1,0,0|1,0,0]=3 3604 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [0,1,0,1,0,0|1,1,0]=4 3605 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [0,1,0,1,0,0|1,0,0]=3 3606 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,1,0,1,0,0|2,0,0]=4 3607 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,1,0,1,0,0|2,0,0]=4 3608 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,1,0,1,0,0|2,0,0]=4 3609 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [0,1,0,1,0,0|1,0,0]=3 3610 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,1,0,1,0,0|1,0,0]=3 3611 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,1,0,1,0,0|1,0,0]=3 3612 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,1,0,1,0,0|1,0,0]=3 3613 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,1,0,1,0,0|1,0,0]=3 3614 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [0,1,0,1,0,0|1,0,0]=3 3615 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [0,1,0,1,0,0|1,0,0]=3 3616 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,1,0,1,0,0|2,0,0]=4 3617 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,1,0,1,0,0|2,0,0]=4 3618 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,1,0,1,0,0|2,0,0]=4 3619 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,1,0,1,0,0|2,0,0]=4 3620 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,1,0,1,0,0|1,0,0]=3 3621 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,1,0,1,0,0|1,0,0]=3 3622 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,1,0,1,0,0|1,0,0]=3 3623 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,1,0,1,0,0|1,0,0]=3 3624 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [0,1,0,1,0,0|1,0,0]=3 3625 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [0,1,0,1,0,0|1,0,0]=3 3626 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,1,0,1,0,0|2,0,0]=4 3627 B9R1.22 NCC1CC(=O)NC1=O MCULE-4273797051 [0,1,0,1,0,0|1,0,1]=4 3628 B9R1.22 NCC1CC(=O)NC1=O MCULE-5127529700 [0,1,0,1,0,0|1,0,1]=4 3629 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,1,0,1,0,0|1,0,0]=3 3630 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,1,0,1,0,0|1,0,0]=3 3631 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,1,0,1,0,0|1,0,0]=3 3632 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,1,0,1,0,0|1,0,0]=3 3633 B9R1.34 CC1=CC(CC(=O)O1)O MCULE-2892113646 [0,1,0,1,0,0|1,0,1]=4 3634 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,1,0,0|2,0,0]=4 3635 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,1,0,0|2,0,0]=4 3636 B9R1.34 CN1CC(CC(C1)O)O MCULE-9324935479 [0,1,0,1,0,0|1,0,1]=4 3637 B9R1.38 CC1(NC(=O)CC1O)C MCULE-8306254701 [0,1,0,1,0,0|2,0,0]=4 3638 B9R1.38 CC1CC(=O)OC1(C)C MCULE-6169528498 [0,1,0,1,0,0|2,0,0]=4 3639 B9R1.38 CC1OC(=O)CC1(C)C MCULE-2629079906 [0,1,0,1,0,0|2,0,0]=4 3640 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [0,1,0,1,0,0|2,0,0]=4 3641 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,1,0,1,0,0|2,0,0]=4 3642 B9R1.52 CC1CN(C1C(=O)O)C MCULE-8572324743 [0,1,0,1,0,0|1,0,0]=3 3643 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-1157987768 [0,1,0,1,0,0|1,0,0]=3 3644 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-2203210701 [0,1,0,1,0,0|1,0,0]=3 3645 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C MCULE-7173137112 [0,1,0,1,0,0|1,0,0]=3 3646 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,1,0,1,0,0|2,0,0]=4 3647 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6114587935 [0,1,0,1,0,0|1,0,0]=3 3648 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6524445855 [0,1,0,1,0,0|1,0,0]=3 3649 B9R1.53 NC(=O)CC1CC(C1)N MCULE-4414712655 [0,1,0,1,0,0|2,0,0]=4 3650 B9R1.53 NC(=O)CC1CC(C1)N MCULE-6104457108 [0,1,0,1,0,0|2,0,0]=4 3651 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,1,0,1,0,0|1,0,0]=3 3652 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,1,0,1,0,0|1,0,0]=3 3653 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,1,0,1,0,0|1,0,0]=3 3654 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,1,0,1,0,0|1,0,0]=3 3655 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,1,0,1,0,0|1,0,0]=3 3656 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,1,0,1,0,0|1,0,0]=3 3657 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,1,0,1,0,0|2,0,0]=4 3658 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,1,0,1,0,0|2,0,0]=4 3659 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,1,0,1,0,0|2,0,0]=4 3660 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,1,0,1,0,0|2,0,0]=4 3661 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,1,0,1,0,0|2,0,0]=4 3662 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,1,0,1,0,0|2,0,0]=4 3663 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,1,0,1,0,0|2,0,0]=4 3664 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [0,1,0,1,0,0|2,0,0]=4 3665 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [0,1,0,1,0,0|2,0,0]=4 3666 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [0,1,0,1,0,0|2,0,0]=4 3667 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,1,0,1,0,0|2,0,0]=4 3668 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,1,0,1,0,0|2,0,0]=4 3669 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,1,0,1,0,0|1,0,0]=3 3670 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,1,0,1,0,0|1,0,0]=3 3671 B9R1.66 O=C1CNCC(C1)(F)F MCULE-6601373156 [0,1,0,1,0,0|2,0,0]=4 3672 B9R1.66 O=C1CNCC(C1)(F)F MCULE-6650400321 [0,1,0,1,0,0|2,0,0]=4 3673 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [0,1,0,1,0,0|2,0,0]=4 3674 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [0,1,0,1,0,0|2,0,0]=4 3675 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [0,1,0,1,0,0|2,0,0]=4 3676 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [0,1,0,1,0,0|2,0,0]=4 3677 B9R1.171 CC(=O)CC1(CCC1)O MCULE-9059999179 [0,1,0,1,0,0|2,0,0]=4 3678 B9R1.171 CC(=O)CC1(COC1)O MCULE-3975222086 [0,1,0,1,0,0|2,0,0]=4 3679 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [0,1,0,1,0,0|2,0,0]=4 3680 B9R1.171 CC1(COC1)CC(=O)O MCULE-6717906096 [0,1,0,1,0,0|2,0,0]=4 3681 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [0,1,0,1,0,0|2,0,0]=4 3682 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [0,1,0,1,0,0|2,0,0]=4 3683 B9R1.171 NC1(COC1)CC(=O)O MCULE-7347209492 [0,1,0,1,0,0|2,0,0]=4 3684 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [0,1,0,1,0,0|1,0,0]=3 3685 B9R1.171 O=C(O)CC1(COC1)F MCULE-8446148413 [0,1,0,1,0,0|2,0,0]=4 3686 B9R1.2 CCC1CC(=O)CCO1 MCULE-5885330152 [0,1,0,1,0,0|2,0,0]=4 3687 B9R1.2 COC1CCCC(=O)C1 MCULE-4121364026 [0,1,0,1,0,0|2,0,0]=4 3688 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,1,0,0|2,0,0]=4 3689 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,1,0,0|2,0,0]=4 3690 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,1,0,0|2,0,0]=4 3691 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,1,0,0|2,0,0]=4 3692 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,1,0,0|2,0,0]=4 3693 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [0,1,0,1,0,0|2,0,0]=4 3694 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [0,1,0,1,0,0|2,0,0]=4 3695 B9R1.2 O=C1CNC[C@H](N1)CO MCULE-7459264375 [0,1,0,1,0,0|2,0,0]=4 3696 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,1,0,0|2,0,0]=4 3697 B9R1.124 O=C1CC(C1)(CO)CO MCULE-4534541678 [0,1,0,1,0,0|2,0,0]=4 3698 B9R1.128 COC1(CC1)CC(=O)O MCULE-1379689122 [0,1,0,1,0,0|1,0,0]=3 3699 B9R1.128 N#CC1(CC1)CC(=O)O MCULE-5123449999 [0,1,0,1,0,0|2,0,0]=4 3700 B9R1.128 NCC1(CC1)CC(=O)N MCULE-4131038224 [0,1,0,1,0,0|2,0,0]=4 3701 B9R1.128 NCC1(CC1)CC(=O)N MCULE-7373176417 [0,1,0,1,0,0|2,0,0]=4 3702 B9R1.128 NCC1(CC1)CC(=O)O MCULE-5672358915 [0,1,0,1,0,0|1,0,0]=3 3703 B9R1.128 NCC1(CC1)CC(=O)O MCULE-9536586933 [0,1,0,1,0,0|1,0,0]=3 3704 B9R1.128 O=C(O)CC1(CC1)CO MCULE-8706737331 [0,1,0,1,0,0|1,0,0]=3 3705 B9R1.128 O=C(O)CC1(CC1)CS MCULE-2805511819 [0,1,0,1,0,0|1,1,0]=4 3706 B9R1.21 CCC1=NOC(C1)CN MCULE-5040673048 [0,1,0,1,0,0|2,0,0]=4 3707 B9R1.21 CCC1=NOC(C1)CN MCULE-9249977340 [0,1,0,1,0,0|2,0,0]=4 3708 B9R1.23 CN1CC(CC1=O)CN MCULE-4610214501 [0,1,0,1,0,0|2,0,0]=4 3709 B9R1.23 CN1CC(CC1=O)CN MCULE-5425833484 [0,1,0,1,0,0|2,0,0]=4 3710 B9R1.23 CN1CC(CC1=O)CN MCULE-7603285273 [0,1,0,1,0,0|2,0,0]=4 3711 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-2488884693 [0,1,0,1,0,0|2,0,0]=4 3712 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-3111089731 [0,1,0,1,0,0|2,0,0]=4 3713 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-1843344905 [0,1,0,1,0,0|2,0,0]=4 3714 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-7113883697 [0,1,0,1,0,0|2,0,0]=4 3715 B9R1.79 COC(=O)CC1CCC1 MCULE-7297223119 [0,1,0,1,0,0|2,0,0]=4 3716 B9R1.79 COC(=O)CC1CCN1 MCULE-5492491091 [0,1,0,1,0,0|2,0,0]=4 3717 B9R1.79 COC(=O)CC1CCN1 MCULE-7371172089 [0,1,0,1,0,0|2,0,0]=4 3718 B9R1.79 COC(=O)CC1CNC1 MCULE-2445048395 [0,1,0,1,0,0|1,0,0]=3 3719 B9R1.79 COC(=O)CC1CNC1 MCULE-9252830951 [0,1,0,1,0,0|1,0,0]=3 3720 B9R1.79 COC(=O)CC1CNC1 MCULE-9300092140 [0,1,0,1,0,0|1,0,0]=3 3721 B9R1.79 COC(=O)CC1COC1 MCULE-7278428922 [0,1,0,1,0,0|2,0,0]=4 3722 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-4458752801 [0,1,0,1,0,0|2,0,0]=4 3723 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-7871731865 [0,1,0,1,0,0|2,0,0]=4 3724 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-3605148245 [0,1,0,1,0,0|2,0,0]=4 3725 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-5459320153 [0,1,0,1,0,0|2,0,0]=4 3726 B9R1.79 COC(=O)NC1CNC1 MCULE-2457680238 [0,1,0,1,0,0|2,0,0]=4 3727 B9R1.79 COC(=O)NC1CNC1 MCULE-4613885212 [0,1,0,1,0,0|2,0,0]=4 3728 B9R1.88 COC(=O)C1CC1CN MCULE-1236079239 [0,1,0,1,0,0|1,0,0]=3 3729 B9R1.88 COC(=O)C1CC1CN MCULE-4562850748 [0,1,0,1,0,0|1,0,0]=3 3730 B9R1.88 COC(=O)C1CC1CO MCULE-5565427339 [0,1,0,1,0,0|2,0,0]=4 3731 B9R1.88 COC(=O)[C@@H]1C[C@H]1CBr MCULE-3300025556 [0,1,0,1,0,0|2,0,0]=4 3732 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-3830996710 [0,1,0,1,0,0|2,0,0]=4 3733 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-8401143479 [0,1,0,1,0,0|2,0,0]=4 3734 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO MCULE-2397945276 [0,1,0,1,0,0|2,0,0]=4 3735 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO MCULE-8447681594 [0,1,0,1,0,0|1,0,0]=3 3736 B9R1.113 COC(=O)CC1(CC1)N MCULE-1706721546 [0,1,0,1,0,0|2,0,0]=4 3737 B9R1.113 COC(=O)CC1(CC1)N MCULE-8037085673 [0,1,0,1,0,0|2,0,0]=4 3738 B9R1.36 NC1CS(=O)(=O)CC1O MCULE-5996491209 [0,1,0,1,0,0|1,0,1]=4 3739 B9R1.36 NC1CS(=O)(=O)CC1O MCULE-9643044435 [0,1,0,1,0,0|1,0,1]=4 3740 B9R1.36 N[C@@H]1CS(=O)(=O)C[C@H]1O MCULE-2999812400 [0,1,0,1,0,0|1,0,1]=4 3741 B9R1.36 N[C@@H]1CS(=O)(=O)C[C@H]1O MCULE-7643885472 [0,1,0,1,0,0|1,0,1]=4 3742 B9R1.36 N[C@@H]1CS(=O)(=O)C[C@H]1O MCULE-8981472864 [0,1,0,1,0,0|1,0,1]=4 3743 B9R1.36 N[C@H]1CS(=O)(=O)C[C@@H]1O MCULE-7944639773 [0,1,0,1,0,0|1,0,1]=4 3744 B9R1.36 N[C@H]1CS(=O)(=O)C[C@H]1O MCULE-8607278094 [0,1,0,1,0,0|1,0,1]=4 3745 B9R1.36 [C@H]1(CS(=O)(=O)C[C@@H]1N)O MCULE-6220718478 [0,1,0,1,0,0|1,0,1]=4 3746 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,1,0,1,0,0|2,0,0]=4 3747 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,1,0,1,0,0|1,0,1]=4 3748 B9R1.161 O=C(O)C1CC1C(F)F MCULE-6859776096 [0,1,0,1,0,0|2,0,0]=4 3749 B9R1.161 O=C(O)C1OC1C(=O)O MCULE-2308875813 [0,1,0,1,0,0|1,0,1]=4 3750 B9R1.161 O=C(O)[C@@H]1C[C@@H]1C(F)F MCULE-4810792751 [0,1,0,1,0,0|2,0,0]=4 3751 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-1011454400 [0,1,0,1,0,0|2,0,0]=4 3752 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-8959639977 [0,1,0,1,0,0|2,0,0]=4 3753 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-2854301838 [0,1,0,1,0,0|1,0,1]=4 3754 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O MCULE-7193163448 [0,1,0,1,0,0|1,0,1]=4 3755 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-4761495090 [0,1,0,1,0,0|2,0,0]=4 3756 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-9106908377 [0,1,0,1,0,0|2,0,0]=4 3757 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F MCULE-9137583199 [0,1,0,1,0,0|2,0,0]=4 3758 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O MCULE-6088596771 [0,1,0,1,0,0|1,0,1]=4 3759 B9R1.170 CC1(CC1CC(=O)O)C MCULE-4662857705 [0,1,0,1,0,0|2,0,0]=4 3760 B9R1.170 O=C(O)CC1CC1(Cl)Cl MCULE-1943383074 [0,1,0,1,0,0|2,0,0]=4 3761 B9R1.170 O=C(O)CC1CC1(F)F MCULE-4535964880 [0,1,0,1,0,0|2,0,0]=4 3762 B9R1.170 O=C(O)C[C@H]1CC1(F)F MCULE-7984243726 [0,1,0,1,0,0|2,0,0]=4 3763 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,1,0,1,0,0|1,0,0]=3 3764 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,1,0,1,0,0|2,0,0]=4 3765 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,1,0,1,0,0|1,0,0]=3 3766 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,1,0,1,0,0|1,0,0]=3 3767 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,1,0,1,0,0|1,0,0]=3 3768 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,1,0,1,0,0|1,0,0]=3 3769 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,1,0,1,0,0|1,0,0]=3 3770 B9R1.166 O=C(O)C1CCC1(F)F MCULE-5646109920 [0,1,0,1,0,0|2,0,0]=4 3771 B9R1.166 O=C(O)[C@@H]1CCC1(F)F MCULE-1777760238 [0,1,0,1,0,0|2,0,0]=4 3772 B9R1.166 O=C(O)[C@H]1CCC1(F)F MCULE-9140397233 [0,1,0,1,0,0|2,0,0]=4 3773 B9R2.20 O=C1OCC2C1CC2 MCULE-4454485399 [0,0,0,2,0,0|2,0,0]=4 3774 B9R2.20 O=C1OC[C@@H]2[C@@H]1CC2 MCULE-8016618193 [0,0,0,2,0,0|2,0,0]=4 3775 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [0,0,0,2,0,0|2,0,0]=4 3776 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,2,0,0|2,0,0]=4 3777 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,2,0,0|2,0,0]=4 3778 B9R2.139 O=C1CC2(CC2)CO1 MCULE-1305676940 [0,0,0,2,0,0|2,0,0]=4 3779 B9R2.109 O=C1CCCC2C1O2 MCULE-6955178123 [0,0,0,2,0,0|2,0,0]=4 3780 B9R2.138 O=C1CC2(C1)CNC2 MCULE-1456586130 [0,0,0,2,0,0|2,0,0]=4 3781 B9R2.138 O=C1CC2(C1)CNC2 MCULE-3478091589 [0,0,0,2,0,0|2,0,0]=4 3782 B9R2.138 O=C1CC2(C1)CNC2 MCULE-7458165844 [0,0,0,2,0,0|2,0,0]=4 3783 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [0,0,0,2,0,0|2,0,0]=4 3784 B9R2.148 O=C(O)C1C2C1NC2 MCULE-5026622210 [0,0,0,2,0,0|1,0,0]=3 3785 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,2,0,0|2,0,0]=4 3786 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,2,0,0|2,0,0]=4 3787 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,0,0,1,0|1,0,1]=4 3788 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,0,0,0,1,0|2,0,0]=4 3789 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,0,0,0,1,0|0,0,2]=4 3790 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,0,0,0,1,0|2,0,0]=4 3791 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,0,0,0,1,0|2,0,0]=4 3792 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,0,0,0,1,0|2,0,0]=4 3793 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,0,0,0,1,0|2,0,0]=4 3794 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,0,0,0,1,0|2,0,0]=4 3795 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,0,0,0,1,0|2,0,0]=4 3796 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,0,0,0,1,0|1,0,0]=3 3797 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,0,0,0,1,0|1,1,0]=4 3798 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,0,0,0,1,0|2,0,0]=4 3799 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,0,0,0,1,0|2,0,0]=4 3800 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,0,0,0,1,0|2,0,0]=4 3801 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,0,0,0,1,0|2,0,0]=4 3802 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,0,0,0,1,0|2,0,0]=4 3803 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,0,0,0,1,0|2,0,0]=4 3804 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,0,0,0,1,0|2,0,0]=4 3805 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,0,0,0,1,0|1,0,0]=3 3806 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,0,0,0,1,0|1,0,0]=3 3807 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,0,0,0,1,0|2,0,0]=4 3808 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,0,0,0,1,0|2,0,0]=4 3809 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,0,0,0,1,0|2,0,0]=4 3810 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,0,0,0,1,0|1,0,0]=3 3811 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,0,0,0,1,0|1,1,0]=4 3812 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,0,0,0,1,0|2,0,0]=4 3813 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,0,0,0,1,0|2,0,0]=4 3814 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,0,0,0,1,0|2,0,0]=4 3815 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,0,0,0,1,0|1,0,0]=3 3816 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,0,0,0,1,0|1,0,0]=3 3817 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,0,0,0,1,0|1,0,0]=3 3818 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,0,0,0,1,0|2,0,0]=4 3819 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,0,0,0,1,0|2,0,0]=4 3820 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,0,0,0,1,0|2,0,0]=4 3821 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,0,0,0,1,0|2,0,0]=4 3822 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,0,0,0,1,0|2,0,0]=4 3823 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,0,0,0,1,0|2,0,0]=4 3824 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,0,0,0,1,0|2,0,0]=4 3825 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,0,0,0,1,0|1,0,0]=3 3826 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,0,0,0,1,0|1,0,0]=3 3827 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,0,0,0,1,0|1,0,0]=3 3828 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,0,0,0,1,0|1,0,0]=3 3829 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,0,0,0,1,0|2,0,0]=4 3830 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,0,0,0,1,0|2,0,0]=4 3831 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,0,0,0,1,0|1,0,0]=3 3832 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,0,0,0,1,0|1,0,0]=3 3833 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,0,0,0,1,0|0,0,0]=2 3834 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,0,0,0,1,0|0,0,0]=2 3835 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,0,0,0,1,0|0,0,1]=3 3836 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,0,0,0,1,0|0,0,1]=3 3837 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,0,0,0,1,0|0,0,1]=3 3838 B5R0.5 CC(O)C(C)O MCULE-2858785316 [1,0,0,0,1,0|1,0,1]=4 3839 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,0,0,0,1,0|1,1,0]=4 3840 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,0,0,0,1,0|0,1,0]=3 3841 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,0,0,1,0|2,0,0]=4 3842 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,0,0,0,1,0|1,0,0]=3 3843 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,0,0,0,1,0|1,0,0]=3 3844 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,0,0,0,1,0|2,0,0]=4 3845 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,0,0,0,1,0|1,0,0]=3 3846 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,0,0,0,1,0|1,0,0]=3 3847 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,0,0,0,1,0|2,0,0]=4 3848 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,0,0,0,1,0|2,0,0]=4 3849 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,0,0,0,1,0|2,0,0]=4 3850 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,0,0,0,1,0|2,0,0]=4 3851 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,0,0,0,1,0|2,0,0]=4 3852 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,0,0,0,1,0|1,0,0]=3 3853 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,0,0,0,1,0|1,0,0]=3 3854 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,0,0,0,1,0|2,0,0]=4 3855 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,0,0,0,1,0|2,0,0]=4 3856 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,0,0,0,1,0|2,0,0]=4 3857 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,0,0,0,1,0|2,0,0]=4 3858 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,0,0,0,1,0|1,0,0]=3 3859 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,0,0,0,1,0|1,0,0]=3 3860 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,0,0,0,1,0|0,0,0]=2 3861 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,0,0,0,1,0|0,0,0]=2 3862 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,0,0,0,1,0|0,0,1]=3 3863 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,0,0,0,1,0|0,0,1]=3 3864 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,0,0,0,1,0|0,0,1]=3 3865 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [1,0,0,0,1,0|1,0,1]=4 3866 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [1,0,0,0,1,0|1,0,1]=4 3867 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [1,0,0,0,1,0|1,0,1]=4 3868 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,0,0,0,1,0|2,0,0]=4 3869 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,0,0,0,1,0|1,0,0]=3 3870 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,0,0,0,1,0|1,0,0]=3 3871 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,0,0,0,1,0|1,0,0]=3 3872 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,0,0,0,1,0|1,0,0]=3 3873 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,0,0,0,1,0|2,0,0]=4 3874 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,0,0,0,1,0|2,0,0]=4 3875 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,0,0,0,1,0|2,0,0]=4 3876 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,0,0,0,1,0|2,0,0]=4 3877 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,0,0,0,1,0|2,0,0]=4 3878 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,0,0,0,1,0|2,0,0]=4 3879 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,0,0,0,1,0|2,0,0]=4 3880 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,0,0,0,1,0|2,0,0]=4 3881 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,0,0,0,1,0|2,0,0]=4 3882 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,0,0,0,1,0|1,0,0]=3 3883 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,0,0,0,1,0|1,0,0]=3 3884 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,0,0,0,1,0|1,0,0]=3 3885 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,0,0,0,1,0|1,0,0]=3 3886 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,0,0,0,1,0|1,0,0]=3 3887 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,0,0,0,1,0|0,0,0]=2 3888 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,0,0,0,1,0|0,0,0]=2 3889 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,0,0,0,1,0|0,0,1]=3 3890 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,0,0,0,1,0|0,0,1]=3 3891 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,0,0,0,1,0|0,0,1]=3 3892 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,0,0,0,1,0|0,0,1]=3 3893 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,0,0,0,1,0|0,0,1]=3 3894 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [1,0,0,0,1,0|1,0,1]=4 3895 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [1,0,0,0,1,0|1,0,1]=4 3896 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [1,0,0,0,1,0|1,0,1]=4 3897 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,0,0,0,1,0|0,0,2]=4 3898 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,0,0,0,1,0|0,0,0]=2 3899 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [1,0,0,0,1,0|1,0,1]=4 3900 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [1,0,0,0,1,0|1,0,1]=4 3901 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [1,0,0,0,1,0|1,0,1]=4 3902 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [1,0,0,0,1,0|1,0,1]=4 3903 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [1,0,0,0,1,0|1,0,1]=4 3904 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [1,0,0,0,1,0|1,0,1]=4 3905 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [1,0,0,0,1,0|1,0,1]=4 3906 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [1,0,0,0,1,0|1,0,1]=4 3907 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [1,0,0,0,1,0|1,0,1]=4 3908 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [1,0,0,0,1,0|1,0,1]=4 3909 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [1,0,0,0,1,0|1,0,1]=4 3910 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,0,0,0,1,0|2,0,0]=4 3911 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,0,0,0,1,0|2,0,0]=4 3912 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,0,0,0,1,0|2,0,0]=4 3913 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,0,0,0,1,0|2,0,0]=4 3914 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,0,0,0,1,0|2,0,0]=4 3915 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,0,0,0,1,0|2,0,0]=4 3916 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,0,0,0,1,0|2,0,0]=4 3917 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,0,0,0,1,0|1,0,0]=3 3918 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,0,0,0,1,0|2,0,0]=4 3919 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,0,0,0,1,0|2,0,0]=4 3920 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,0,0,0,1,0|1,0,0]=3 3921 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,0,0,0,0,2|2,0,0]=4 3922 B9R0.1 NCC(=O)CCCC(=O)O MCULE-2734634895 [0,0,0,0,0,2|0,0,2]=4 3923 B9R0.1 NCC(=O)CCCC(=O)O MCULE-7779987234 [0,0,0,0,0,2|0,0,2]=4 3924 B9R0.1 NCC(=O)ONCC(=O)O MCULE-2802022381 [0,0,0,0,0,2|0,0,2]=4 3925 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,0,0,0,0,2|1,0,0]=3