0 B7R0.15 C=C(C)C(CC)CC MCULE-2424136176 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,0,0,0,0,0|1,2,1]=4 2 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [0,0,0,0,0,0|2,1,0]=3 3 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [0,0,0,0,0,0|2,1,0]=3 4 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,0,0,0,0,0|2,1,0]=3 5 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,0,0,0,0,0|1,2,0]=3 6 B7R0.15 CCC(CC)C(=S)N MCULE-8027076934 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.15 CCC(CC)C(C)C MCULE-3824081707 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.15 CCC(CC)C(C)N MCULE-1696057542 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.15 CCC(CC)C(C)O MCULE-9742014522 [0,0,0,0,0,0|2,1,1]=4 10 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,0,0,0,0,0|2,2,0]=4 11 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,0,0,0,0,0|2,2,0]=4 12 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,0,0,0,0,0|2,2,0]=4 13 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,0,0,0,0,0|2,2,0]=4 14 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,0,0,0,0,0|3,1,0]=4 15 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,0,0,0,0,0|3,1,0]=4 16 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,0,0,0,0,0|2,2,0]=4 17 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,0,0,0,0,0|2,2,0]=4 18 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,0,0,0,0,0|3,1,0]=4 19 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,0,0,0,0,0|2,2,0]=4 20 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,0,0,0,0,0|2,2,0]=4 21 B7R0.15 CCN(CC)C(=N)N MCULE-1751840001 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.15 CCN(CC)C(=N)N MCULE-3282435761 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.15 CCN(CC)C(=N)N MCULE-3885028683 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.15 CCN(CC)C(=N)N MCULE-5290490107 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.15 CCN(CC)C(=N)N MCULE-7397019839 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.15 CCN(CC)C(=O)C MCULE-6584128098 [0,0,0,0,0,0|1,1,0]=2 27 B7R0.15 CCN(CC)C(=O)Cl MCULE-2162985195 [0,0,0,0,0,0|1,1,0]=2 28 B7R0.15 CCN(CC)C(=O)N MCULE-7011051295 [0,0,0,0,0,0|1,1,0]=2 29 B7R0.15 CCN(CC)C(=S)Cl MCULE-4304705575 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.15 CCN(CC)C(=S)N MCULE-6855799912 [0,0,0,0,0,0|1,0,0]=1 31 B7R0.15 CCN(CC)C(=S)S MCULE-4000473182 [0,0,0,0,0,0|0,0,0]=0 32 B7R0.15 CCN(CC)C(=S)[O-] MCULE-2771365018 [0,0,0,0,0,0|0,1,0]=1 33 B7R0.15 CCN(CC)C(=S)[O-] MCULE-2927277910 [0,0,0,0,0,0|0,1,0]=1 34 B7R0.15 CCN(CC)C(=S)[S-] MCULE-5049119646 [0,0,0,0,0,0|0,0,1]=1 35 B7R0.15 CCN(CC)C(=S)[S-] MCULE-7228129367 [0,0,0,0,0,0|0,0,1]=1 36 B7R0.15 CCN(CC)C(C)C MCULE-4939079362 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.15 CCN(CC)P(Cl)Cl MCULE-5420943609 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.15 CCN(CC)S(=O)F MCULE-2512916686 [0,0,0,0,0,0|2,1,0]=3 39 B7R0.15 CCN(N=O)C(=O)N MCULE-1587704958 [0,0,0,0,0,0|3,1,0]=4 40 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,0,0,0,0,0|2,2,0]=4 41 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,0,0,0,0,0|2,2,0]=4 42 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,0,0,0,0,0|2,2,0]=4 43 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,0,0,0,0,0|2,2,0]=4 44 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,0,0,0,0,0|2,2,0]=4 45 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,0,0,0,0,0|2,2,0]=4 46 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,0,0,0,0,0|3,1,0]=4 47 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,0,0,0,0,0|3,1,0]=4 48 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,0,0,0,0,0|3,1,0]=4 49 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,0,0,0,0,0|3,1,0]=4 50 B7R0.15 CC[N+](=S(F)F)CC MCULE-1946915712 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.15 CC[N+](=S(F)F)CC MCULE-8545021723 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.15 NC(=O)N(CO)CO MCULE-8654518853 [0,0,0,0,0,0|3,1,0]=4 53 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.3 CCC(=C(C)C)C MCULE-7258057243 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [1,0,0,0,0,0|2,1,0]=4 58 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [1,0,0,0,0,0|2,1,0]=4 59 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,0,0,0,0,0|2,1,0]=4 60 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,0,0,0,0,0|1,2,0]=4 61 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,0,0,0,0,0|1,2,0]=4 62 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [1,0,0,0,0,0|1,1,0]=3 65 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [1,0,0,0,0,0|1,1,0]=3 66 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [1,0,0,0,0,0|2,1,0]=4 67 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [1,0,0,0,0,0|2,1,0]=4 68 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,0,0,0,0,0|2,1,0]=4 69 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,0,0,0,0,0|2,1,0]=4 70 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,0,0,0,0,0|1,2,0]=4 71 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,0,0,0,0,0|1,2,0]=4 72 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,0,0,0,0,0|1,2,0]=4 73 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,0,0,0,0,0|1,2,0]=4 74 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [1,0,0,0,0,0|2,1,0]=4 76 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [1,0,0,0,0,0|2,1,0]=4 77 B6R0.9 C#CC(CC)CC MCULE-6184220024 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.9 C/C=C(/C=O)\CC MCULE-4811305564 [1,0,0,0,0,0|1,1,1]=4 79 B6R0.9 CC=C(C=O)CC MCULE-3354209980 [1,0,0,0,0,0|1,1,1]=4 80 B6R0.9 CC=C(CC)CC MCULE-5609717261 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.9 CCB(CC)OC MCULE-5839415433 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.9 CCC(=CO)CC MCULE-4973169590 [1,0,0,0,0,0|1,1,0]=3 83 B6R0.9 CCC(=CO)CC MCULE-8459100577 [1,0,0,0,0,0|1,1,0]=3 84 B6R0.9 CCC(C#N)CC MCULE-1817171032 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.9 CCC(C=O)CC MCULE-3529464122 [1,0,0,0,0,0|1,1,0]=3 86 B6R0.9 CCC(CC)CBr MCULE-7035205946 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.9 CCC(CC)CC MCULE-4259310191 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.9 CCC(CC)CI MCULE-7444274747 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.9 CCC(CC)CN MCULE-2344837203 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.9 CCC(CC)CN MCULE-5753995416 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.9 CCC(CC)CO MCULE-8799293985 [1,0,0,0,0,0|1,1,1]=4 92 B6R0.9 CCC(CC)NC MCULE-5581389070 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.9 CCC(CC)NC MCULE-9713693117 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.9 CCC(CC)NN MCULE-2238567966 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.9 CCC(CC)NN MCULE-6799511276 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.9 CCC(CC)NN MCULE-7243313185 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.9 CCN(C#N)CC MCULE-5340167535 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.9 CCN(C=O)CC MCULE-9053231156 [1,0,0,0,0,0|0,1,0]=2 99 B6R0.9 CCN(CC)CC MCULE-1748959240 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.9 CCN(CC)CC MCULE-6692975244 [1,0,0,0,0,0|1,0,1]=3 101 B6R0.9 CCN(CC)CC MCULE-8404374147 [1,0,0,0,0,0|1,0,1]=3 102 B6R0.9 CCN(CC)CO MCULE-9782453115 [1,0,0,0,0,0|0,1,1]=3 103 B6R0.9 CCN(CC)N=O MCULE-8931177297 [1,0,0,0,0,0|1,1,0]=3 104 B6R0.9 CCP(CC)CC MCULE-9384101687 [1,0,0,0,0,0|1,1,1]=4 105 B6R0.9 CC[BH-](CC)CC MCULE-2290572181 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.9 CC[BH-](CC)CC MCULE-8338494068 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.9 CC[NH+](CC)CC MCULE-2368942907 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.9 CC[O+](CC)CC MCULE-2279228362 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.9 CC[O+](CC)CC MCULE-9717277153 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.9 CC[S+](CC)CC MCULE-1808998862 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.9 CC[S+](CC)CC MCULE-5064870708 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.9 [SiH](CC)(CC)CC MCULE-6563417997 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,1,0,0,0,0|1,2,0]=4 114 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,1,0,0,0,0|1,2,0]=4 115 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [0,1,0,0,0,0|2,1,0]=4 116 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,1,0,0,0,0|1,2,0]=4 117 B8R0.15 CCN(CCN)C(C)C MCULE-4085347699 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.15 CCN(CCO)C(C)C MCULE-4361399930 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.15 CCOC(CC)C(=O)N MCULE-8093014638 [0,1,0,0,0,0|2,1,0]=4 120 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [0,1,0,0,0,0|1,2,0]=4 121 B8R0.15 COC(CCN)C(=S)N MCULE-6534953334 [0,1,0,0,0,0|3,0,0]=4 122 B8R0.18 CCC(C(=O)C)C(C)C MCULE-3028115393 [0,1,0,0,0,0|2,1,0]=4 123 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [0,1,0,0,0,0|1,2,0]=4 124 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,1,0,0,0,0|1,2,0]=4 125 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,1,0,0,0,0|1,2,0]=4 126 B8R0.18 CCN(C(=O)Cl)C(C)C MCULE-4651804534 [0,1,0,0,0,0|1,1,0]=3 127 B8R0.18 CCN(C(C)C)C(C)C MCULE-1986798658 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.18 CCN(C(C)C)C(C)C MCULE-5148814100 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.20 C=CC(=O)N(CC)CC MCULE-7297711661 [0,1,0,0,0,0|1,1,0]=3 130 B8R0.20 CCC(=O)N(CC)CC MCULE-4492225722 [0,1,0,0,0,0|1,1,0]=3 131 B8R0.20 CCC(CC)C(=O)NC MCULE-1491407837 [0,1,0,0,0,0|2,1,0]=4 132 B8R0.20 CCC(CC)C(=O)NN MCULE-2188897892 [0,1,0,0,0,0|2,1,0]=4 133 B8R0.20 CCC(CC)C(=O)OC MCULE-4475439540 [0,1,0,0,0,0|1,2,0]=4 134 B8R0.20 CCC(N)N(CC)CC MCULE-6202857859 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.20 CCN(CC)/C(=N\O)/N MCULE-4955794797 [0,1,0,0,0,0|1,1,0]=3 136 B8R0.20 CCN(CC)C(=N)C#N MCULE-2978232820 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.20 CCN(CC)C(=O)CBr MCULE-5615626045 [0,1,0,0,0,0|1,1,0]=3 138 B8R0.20 CCN(CC)C(=O)CCl MCULE-5745155246 [0,1,0,0,0,0|1,1,0]=3 139 B8R0.20 CCN(CC)C(=O)CN MCULE-4877298593 [0,1,0,0,0,0|1,1,0]=3 140 B8R0.20 CCN(CC)C(=O)CN MCULE-7981871119 [0,1,0,0,0,0|1,1,0]=3 141 B8R0.20 CCN(CC)C(=O)CO MCULE-1108898893 [0,1,0,0,0,0|0,2,0]=3 142 B8R0.20 CCN(CC)C(=O)CS MCULE-6874868972 [0,1,0,0,0,0|0,1,0]=2 143 B8R0.20 CCN(CC)C(=O)SC MCULE-6776760270 [0,1,0,0,0,0|0,1,0]=2 144 B8R0.20 CCN(CC)C(=S)NN MCULE-1928687892 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.20 CCN(CC)C(=S)SC MCULE-1801438277 [0,1,0,0,0,0|0,0,0]=1 146 B8R0.20 CCN(CC)C(C)CN MCULE-2439435000 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.20 CCN(CC)C(C)CO MCULE-6456878379 [0,1,0,0,0,0|1,1,1]=4 148 B8R0.20 CCN(CC)[C@H](C)CN MCULE-3421531997 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.20 CCN(OC)C(=O)CN MCULE-2148404310 [0,1,0,0,0,0|2,1,0]=4 150 B8R0.20 CCN(OC)C(=O)CN MCULE-8510064396 [0,1,0,0,0,0|2,1,0]=4 151 B8R0.26 CCN(CC)C(F)(F)F MCULE-3203150484 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.26 CCN(CC)P(=O)(Cl)Cl MCULE-5209127723 [0,1,0,0,0,0|2,1,0]=4 153 B8R0.26 CCN(CC)S(=O)(=O)C MCULE-1488195987 [0,1,0,0,0,0|1,2,0]=4 154 B8R0.26 CCN(CC)S(=O)(=O)Cl MCULE-5792036541 [0,1,0,0,0,0|1,2,0]=4 155 B8R0.26 CCN(CC)S(=O)(=O)N MCULE-3161140895 [0,1,0,0,0,0|1,2,0]=4 156 B8R0.26 CCN(CC)S(F)(F)F MCULE-2760769406 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.26 CCN(CC)[Si](C)(C)C MCULE-2092699261 [0,1,0,0,0,0|2,1,0]=4 158 B8R0.36 CCC(Br)(CC)C(=O)O MCULE-6441337805 [0,1,0,0,0,0|1,2,0]=4 159 B8R0.36 CCC(C)(CC)C(=O)C MCULE-2334513479 [0,1,0,0,0,0|2,1,0]=4 160 B8R0.36 CCC(C)(CC)C(=O)Cl MCULE-4125691098 [0,1,0,0,0,0|2,1,0]=4 161 B8R0.36 CCC(C)(CC)C(=O)O MCULE-1997463075 [0,1,0,0,0,0|1,2,0]=4 162 B8R0.36 CCC(F)(CC)C(=O)O MCULE-9436369621 [0,1,0,0,0,0|1,2,0]=4 163 B8R0.36 CCC(N)(CC)C(=O)N MCULE-4886059492 [0,1,0,0,0,0|2,1,0]=4 164 B8R0.36 CCC(N)(CC)C(=O)N MCULE-8377450478 [0,1,0,0,0,0|2,1,0]=4 165 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9609626868 [0,1,0,0,0,0|1,2,0]=4 166 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9646246236 [0,1,0,0,0,0|1,2,0]=4 167 B8R0.36 CCC(O)(CC)C(=O)C MCULE-8377775342 [0,1,0,0,0,0|2,1,0]=4 168 B8R0.36 CCC(O)(CC)C(=O)O MCULE-9621851149 [0,1,0,0,0,0|1,2,0]=4 169 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,0,0,1,0,0|2,1,0]=4 170 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,0,0,1,0,0|1,1,0]=3 171 B8R1.7 CC(C)N1CCCC1 MCULE-6446387241 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.7 N=C(N)C1CCCC1 MCULE-3526902612 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.7 N=C(N)C1CCCC1 MCULE-7613986881 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.7 N=C(N)N1CCCC1 MCULE-1081237301 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.7 N=C(N)N1CCCC1 MCULE-2310711826 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.7 N=C(N)N1CCCC1 MCULE-5860683743 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.7 N=C(N)N1CCCC1 MCULE-9334495491 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,0,0,1,0,0|2,1,0]=4 179 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,0,0,1,0,0|1,1,0]=3 180 B8R1.7 NC(=S)C1CCCC1 MCULE-8081902896 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.7 NC(=S)C1CCCO1 MCULE-7906949480 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.7 NC(=S)C1CCNC1 MCULE-4169836111 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.7 NC(=S)C1CCOC1 MCULE-1942658620 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.7 NC(=S)N1CCCC1 MCULE-1483517657 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,0,0,1,0,0|2,1,0]=4 186 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,0,0,1,0,0|1,1,0]=3 187 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,0,0,1,0,0|1,2,0]=4 188 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,0,0,1,0,0|0,2,0]=3 189 B8R1.7 S=C(S)N1CCCC1 MCULE-1085952223 [0,0,0,1,0,0|0,0,0]=1 190 B8R1.7 S=C([S-])N1CCCC1 MCULE-9299211770 [0,0,0,1,0,0|0,0,1]=2 191 B8R1.7 S=C([S-])N1CCCC1 MCULE-9637056918 [0,0,0,1,0,0|0,0,1]=2 192 B8R1.7 [NH2+]=C(N)N1CCCC1 MCULE-9887365479 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.11 CCC1CCCC1=O MCULE-1884299455 [0,0,0,1,0,0|2,1,0]=4 194 B8R1.11 CCC1CCNC1=O MCULE-8307536027 [0,0,0,1,0,0|2,1,0]=4 195 B8R1.11 CCC1CCOC1=O MCULE-2375464273 [0,0,0,1,0,0|1,2,0]=4 196 B8R1.11 CCN1C=CN=C1S MCULE-2490185112 [0,0,0,1,0,0|1,0,2]=4 197 B8R1.11 CCN1C=CSC1=N MCULE-1692207080 [0,0,0,1,0,0|1,0,2]=4 198 B8R1.11 CCN1C=CSC1=[NH2+] MCULE-2182604989 [0,0,0,1,0,0|1,0,2]=4 199 B8R1.11 CCN1C=NN=C1S MCULE-4081198605 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.11 CCN1CCCC1=O MCULE-7206309773 [0,0,0,1,0,0|1,1,0]=3 201 B8R1.11 CCN1CCCC1=O MCULE-7415495937 [0,0,0,1,0,0|1,1,0]=3 202 B8R1.11 CCN1CCNC1=O MCULE-8168665695 [0,0,0,1,0,0|1,1,0]=3 203 B8R1.11 CCN1CCNC1=S MCULE-5878192181 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.11 CCN1CNCC1=O MCULE-2327338525 [0,0,0,1,0,0|2,1,0]=4 205 B8R1.11 CCN1N=NNC1=S MCULE-3928590408 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.11 O=C1CCCN1CBr MCULE-1337183945 [0,0,0,1,0,0|2,1,0]=4 207 B8R1.11 O=C1CCCN1CCl MCULE-6204630639 [0,0,0,1,0,0|2,1,0]=4 208 B8R1.11 O=C1CCCN1CO MCULE-6508920438 [0,0,0,1,0,0|2,1,0]=4 209 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,0,0,1,0,0|2,1,0]=4 210 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,0,0,1,0,0|1,2,0]=4 211 B8R1.63 CCC1(CC1)C(=O)O MCULE-7607784304 [0,0,0,1,0,0|1,2,0]=4 212 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [0,0,0,1,0,0|1,2,0]=4 213 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [0,0,0,0,0,1|1,2,0]=4 214 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [0,0,0,0,0,1|2,1,0]=4 215 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [0,0,0,0,0,1|2,1,0]=4 216 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [0,0,0,0,0,1|1,2,0]=4 217 B8R0.16 CCC(CC)NC(=S)N MCULE-1437609331 [0,0,0,0,0,1|2,0,0]=3 218 B8R0.16 CCN(CC)CC(=O)C MCULE-9148873435 [0,0,0,0,0,1|1,1,0]=3 219 B8R0.16 CCN(CC)CC(=O)N MCULE-6912193750 [0,0,0,0,0,1|1,1,0]=3 220 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [0,0,0,0,0,1|0,2,0]=3 221 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [0,0,0,0,0,1|0,2,0]=3 222 B8R0.16 CCN(CC)CC(=O)[O-] MCULE-5593114931 [0,0,0,0,0,1|0,2,0]=3 223 B8R0.16 CCN(CC)CC(C)C MCULE-4234490236 [0,0,0,0,0,1|2,0,1]=4 224 B8R0.16 CCN(CC)CC(C)N MCULE-9078357342 [0,0,0,0,0,1|2,0,1]=4 225 B8R0.16 CCN(CC)CC(C)O MCULE-9610800748 [0,0,0,0,0,1|1,1,1]=4 226 B8R0.16 CCN(CC)NC(=S)N MCULE-9550006279 [0,0,0,0,0,1|1,0,0]=2 227 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|1,1,0]=4 229 B5R0.1 CCNC(=N)N MCULE-4729418155 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.1 CCNC(=N)N MCULE-5123343071 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|1,1,0]=4 232 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|1,1,0]=4 233 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|1,1,0]=4 234 B5R0.1 CCNC(=S)N MCULE-3849517146 [2,0,0,0,0,0|1,0,0]=3 235 B5R0.1 CCOC(=S)C MCULE-3358897597 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.1 CCOC(=S)N MCULE-4649285010 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [2,0,0,0,0,0|1,0,1]=4 240 B5R0.1 CCSC(=S)C MCULE-1502137460 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [2,0,0,0,0,0|1,0,1]=4 242 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [2,0,0,0,0,0|1,0,1]=4 243 B5R0.1 CNNC(=S)N MCULE-5838387497 [2,0,0,0,0,0|2,0,0]=4 244 B5R0.1 CONC(=S)C MCULE-1876042939 [2,0,0,0,0,0|2,0,0]=4 245 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [2,0,0,0,0,0|2,0,0]=4 246 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.3 C=C(CC)CBr MCULE-1652422688 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.3 C=C(CC)CC MCULE-9174509622 [2,0,0,0,0,0|1,0,0]=3 249 B5R0.3 C=C(CC)CN MCULE-2269385026 [2,0,0,0,0,0|2,0,0]=4 250 B5R0.3 C=C(CC)CN MCULE-3033447984 [2,0,0,0,0,0|2,0,0]=4 251 B5R0.3 C=C(CC)CO MCULE-8127766352 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.3 C=CC(C)CC MCULE-8112547661 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.3 CC=C(C)CC MCULE-5790494157 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.3 CCC(=O)CC MCULE-8236549739 [2,0,0,0,0,0|1,1,0]=4 255 B5R0.3 CCC(Br)CC MCULE-7435628721 [2,0,0,0,0,0|2,0,0]=4 256 B5R0.3 CCC(C)C=O MCULE-2523669899 [2,0,0,0,0,0|1,1,0]=4 257 B5R0.3 CCC(C)CC MCULE-2542807917 [2,0,0,0,0,0|1,0,1]=4 258 B5R0.3 CCC(C)CS MCULE-7795095685 [2,0,0,0,0,0|1,0,1]=4 259 B5R0.3 CCC(I)CC MCULE-1119844552 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.3 CCC(N)CC MCULE-4261937519 [2,0,0,0,0,0|2,0,0]=4 261 B5R0.3 CCC(N)CC MCULE-5899128891 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.3 CCC(O)CC MCULE-5553645045 [2,0,0,0,0,0|1,1,0]=4 263 B5R0.3 CCC(S)CC MCULE-2556259434 [2,0,0,0,0,0|1,0,0]=3 264 B5R0.3 CCC(S)CS MCULE-9332449950 [2,0,0,0,0,0|2,0,0]=4 265 B5R0.3 CCN(C)C#N MCULE-1247613129 [2,0,0,0,0,0|1,0,1]=4 266 B5R0.3 CCN(C)C=O MCULE-2308681384 [2,0,0,0,0,0|0,1,0]=3 267 B5R0.3 CCN(C)CC MCULE-7207964917 [2,0,0,0,0,0|0,0,1]=3 268 B5R0.3 CCN(N)CC MCULE-9853386945 [2,0,0,0,0,0|1,0,0]=3 269 B5R0.3 CCN(N)CC MCULE-9962617398 [2,0,0,0,0,0|1,0,0]=3 270 B5R0.3 CCN(O)CC MCULE-6022935768 [2,0,0,0,0,0|0,1,0]=3 271 B5R0.3 CCP(=O)CC MCULE-2216184595 [2,0,0,0,0,0|0,2,0]=4 272 B5R0.3 CCP(Cl)CC MCULE-4484529264 [2,0,0,0,0,0|1,1,0]=4 273 B5R0.3 CCS(=O)CC MCULE-5102735179 [2,0,0,0,0,0|1,1,0]=4 274 B5R0.3 CON(C)C=O MCULE-6743121315 [2,0,0,0,0,0|1,1,0]=4 275 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [2,0,0,0,0,0|1,1,0]=4 276 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [2,0,0,0,0,0|1,0,0]=3 277 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [2,0,0,0,0,0|1,1,0]=4 278 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [2,0,0,0,0,0|2,0,0]=4 280 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [2,0,0,0,0,0|2,0,0]=4 281 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [2,0,0,0,0,0|2,0,0]=4 282 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [2,0,0,0,0,0|1,1,0]=4 284 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [2,0,0,0,0,0|1,1,0]=4 285 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [2,0,0,0,0,0|0,2,0]=4 286 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [2,0,0,0,0,0|0,2,0]=4 287 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [2,0,0,0,0,0|1,0,0]=3 288 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [2,0,0,0,0,0|1,0,0]=3 289 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [2,0,0,0,0,0|0,0,0]=2 290 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [2,0,0,0,0,0|0,0,0]=2 291 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [2,0,0,0,0,0|0,0,1]=3 292 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [2,0,0,0,0,0|0,0,1]=3 293 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [2,0,0,0,0,0|2,0,0]=4 294 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1016641329 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1067760866 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [1,1,0,0,0,0|1,1,0]=4 297 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [1,1,0,0,0,0|1,1,0]=4 298 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [1,1,0,0,0,0|1,1,0]=4 299 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [1,1,0,0,0,0|1,1,0]=4 300 B7R0.5 CCOC(C)C(=S)N MCULE-2027801148 [1,1,0,0,0,0|2,0,0]=4 301 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [1,1,0,0,0,0|2,0,0]=4 302 B7R0.10 C=CC(=O)N(C)CC MCULE-8629361048 [1,1,0,0,0,0|1,1,0]=4 303 B7R0.10 CCC(=O)N(C)CC MCULE-1764457516 [1,1,0,0,0,0|1,1,0]=4 304 B7R0.10 CCN(C)C(=O)CBr MCULE-4444194334 [1,1,0,0,0,0|1,1,0]=4 305 B7R0.10 CCN(C)C(=O)CCl MCULE-7762522604 [1,1,0,0,0,0|1,1,0]=4 306 B7R0.10 CCN(N)C(=S)NC MCULE-9798319933 [1,1,0,0,0,0|2,0,0]=4 307 B7R0.10 CNC(=S)N(C)NC MCULE-3806759128 [1,1,0,0,0,0|2,0,0]=4 308 B7R0.16 CC(C)N(C)C(=O)Cl MCULE-1063482503 [1,1,0,0,0,0|1,1,0]=4 309 B7R0.12 C#CCN(CC)CC MCULE-6795288878 [1,1,0,0,0,0|1,0,1]=4 310 B7R0.12 C=CCN(CC)CC MCULE-1169203218 [1,1,0,0,0,0|1,0,0]=3 311 B7R0.12 CCC(CC)CC=O MCULE-2208426846 [1,1,0,0,0,0|1,1,0]=4 312 B7R0.12 CCC(CC)N=C=S MCULE-3779180400 [1,1,0,0,0,0|1,0,1]=4 313 B7R0.12 CCCN(CC)CC MCULE-4397223277 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.12 CCN(C#N)CCCl MCULE-3895738051 [1,1,0,0,0,0|1,0,1]=4 315 B7R0.12 CCN(CC)CC#N MCULE-1628282238 [1,1,0,0,0,0|1,0,1]=4 316 B7R0.12 CCN(CC)CCBr MCULE-2448981330 [1,1,0,0,0,0|1,0,1]=4 317 B7R0.12 CCN(CC)CCBr MCULE-3374941681 [1,1,0,0,0,0|1,0,1]=4 318 B7R0.12 CCN(CC)CCCl MCULE-4632700695 [1,1,0,0,0,0|1,0,1]=4 319 B7R0.12 CCN(CC)CCCl MCULE-6988022416 [1,1,0,0,0,0|1,0,1]=4 320 B7R0.12 CCN(CC)CCI MCULE-3511096859 [1,1,0,0,0,0|1,0,1]=4 321 B7R0.12 CCN(CC)CCI MCULE-3589074025 [1,1,0,0,0,0|1,0,1]=4 322 B7R0.12 CCN(CC)CCN MCULE-7267533239 [1,1,0,0,0,0|1,0,1]=4 323 B7R0.12 CCN(CC)CCO MCULE-6638681325 [1,1,0,0,0,0|0,1,1]=4 324 B7R0.12 CCN(CC)CCO MCULE-8115329454 [1,1,0,0,0,0|0,1,1]=4 325 B7R0.12 CCN(CC)CCS MCULE-4732438689 [1,1,0,0,0,0|0,0,1]=3 326 B7R0.12 CCN(CC)CCS MCULE-7883807246 [1,1,0,0,0,0|0,0,1]=3 327 B7R0.12 CCN(CC)COC MCULE-7233086011 [1,1,0,0,0,0|0,1,1]=4 328 B7R0.12 CCN(CCO)N=O MCULE-3100234015 [1,1,0,0,0,0|1,1,0]=4 329 B7R0.12 CCON(CC)CC MCULE-2387326846 [1,1,0,0,0,0|1,0,1]=4 330 B7R0.12 CCON(CC)CC MCULE-6925822870 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.18 C=C[Si](C)(CC)CC MCULE-8298007601 [1,1,0,0,0,0|2,0,0]=4 332 B7R0.18 CCC(C)(C=O)CC MCULE-8427357130 [1,1,0,0,0,0|1,1,0]=4 333 B9R0.26 CCN(/C=C(\F)/C=O)CC MCULE-9244613165 [0,1,0,0,0,1|1,1,0]=4 334 B9R0.26 CCN(C=C(F)C=O)CC MCULE-3494307844 [0,1,0,0,0,1|1,1,0]=4 335 B9R0.26 CCN(CC)CC(=N)NO MCULE-2779797189 [0,1,0,0,0,1|1,1,0]=4 336 B9R0.26 CCN(CC)CC(=NO)C MCULE-2483066033 [0,1,0,0,0,1|1,1,0]=4 337 B9R0.26 CCN(CC)CC(=O)NN MCULE-4429265348 [0,1,0,0,0,1|1,1,0]=4 338 B9R0.26 CCN(CC)CC(=O)OC MCULE-2727228975 [0,1,0,0,0,1|0,2,0]=4 339 B9R0.41 C=C(C)C(=O)N(CC)CC MCULE-6157133971 [0,1,0,0,0,1|2,0,0]=4 340 B9R0.41 CCN(CC)C(=O)C(=O)O MCULE-9769368325 [0,1,0,0,0,1|0,2,0]=4 341 B9R0.41 CCN(CC)C(C)C(=O)O MCULE-1799679345 [0,1,0,0,0,1|0,2,0]=4 342 B9R0.12 CCN(CCO)C(=O)CN MCULE-1566792462 [0,2,0,0,0,0|1,1,0]=4 343 B9R0.12 CCN(CCO)C(=O)CN MCULE-9506340379 [0,2,0,0,0,0|1,1,0]=4 344 B9R0.12 CCON(CC)C(=O)CN MCULE-8371806171 [0,2,0,0,0,0|1,1,0]=4 345 B9R0.12 CCON(CC)C(=O)CN MCULE-9100822133 [0,2,0,0,0,0|1,1,0]=4 346 B9R0.15 CC(=O)N(CCCl)CCCl MCULE-5092444869 [0,2,0,0,0,0|1,1,0]=4 347 B9R0.15 CC(=O)N(CCO)CCO MCULE-1068519018 [0,2,0,0,0,0|1,1,0]=4 348 B9R0.15 CCCN(CCC)C(=O)C MCULE-3393111489 [0,2,0,0,0,0|1,1,0]=4 349 B9R0.15 CCCN(CCC)C(=O)Cl MCULE-6057450753 [0,2,0,0,0,0|1,1,0]=4 350 B9R0.15 CCOC(OCC)C(=S)N MCULE-2891059678 [0,2,0,0,0,0|2,0,0]=4 351 B9R0.15 NC(=O)N(CCCl)CCCl MCULE-6816554376 [0,2,0,0,0,0|1,1,0]=4 352 B9R0.15 NC(=O)N(CCO)CCO MCULE-7535606627 [0,2,0,0,0,0|1,1,0]=4 353 B9R0.15 O=C(Cl)N(CCCl)CCCl MCULE-9842448853 [0,2,0,0,0,0|1,1,0]=4 354 B9R0.54 CC(=O)N(C(C)C)C(C)C MCULE-9024194815 [0,2,0,0,0,0|1,1,0]=4 355 B9R0.54 CC(C)N(C(=N)N)C(C)C MCULE-2759113186 [0,2,0,0,0,0|2,0,0]=4 356 B9R0.54 CC(C)N(C(=O)Cl)C(C)C MCULE-3723408322 [0,2,0,0,0,0|1,1,0]=4 357 B9R0.37 CCCC(=O)N(CC)CC MCULE-7978944732 [0,2,0,0,0,0|1,1,0]=4 358 B9R0.37 CCN(CC)/C(=N/C#N)/N MCULE-7805781612 [0,2,0,0,0,0|2,0,0]=4 359 B9R0.37 CCN(CC)C(=O)CC#N MCULE-3780588637 [0,2,0,0,0,0|1,1,0]=4 360 B9R0.37 CCN(CC)C(=O)CCCl MCULE-9985882525 [0,2,0,0,0,0|1,1,0]=4 361 B9R0.37 CCN(CC)C(=O)CCN MCULE-4753515103 [0,2,0,0,0,0|1,1,0]=4 362 B9R0.37 CCN(CC)C(=O)CCN MCULE-7096196257 [0,2,0,0,0,0|1,1,0]=4 363 B9R0.37 CCN(CC)C(=O)CNC MCULE-7519968123 [0,2,0,0,0,0|1,1,0]=4 364 B9R0.37 CCN(CC)C(=O)CNC MCULE-8059709675 [0,2,0,0,0,0|1,1,0]=4 365 B9R0.37 CCN(CC)C(=O)OCCl MCULE-3712062464 [0,2,0,0,0,0|0,2,0]=4 366 B9R0.37 CCNC(=O)N(CC)CC MCULE-9047365342 [0,2,0,0,0,0|1,1,0]=4 367 B9R0.37 CCOC(=O)N(CC)CC MCULE-9734341294 [0,2,0,0,0,0|0,2,0]=4 368 B7R1.4 CN1CCCC1=O MCULE-1381506705 [1,0,0,1,0,0|1,1,0]=4 369 B7R1.4 CN1CCCC1=S MCULE-1990879544 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.4 CN1CCN=C1N MCULE-2837197751 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.4 CN1CCN=C1N MCULE-3453498956 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.4 CN1CCN=C1N MCULE-5148335318 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.4 CN1CCNC1=O MCULE-9774864412 [1,0,0,1,0,0|1,1,0]=4 374 B7R1.4 CN1CCNC1=S MCULE-5960493935 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.4 CN1CCOC1=O MCULE-7467321799 [1,0,0,1,0,0|0,2,0]=4 376 B7R1.4 CN1CCSC1=N MCULE-4301061048 [1,0,0,1,0,0|1,0,0]=3 377 B7R1.4 CN1CCSC1=N MCULE-6525392774 [1,0,0,1,0,0|1,0,0]=3 378 B7R1.4 CN1CCSC1=S MCULE-4468510205 [1,0,0,1,0,0|0,0,0]=2 379 B7R1.4 NN1CCNC1=S MCULE-6710971353 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [1,0,0,1,0,0|1,1,0]=4 381 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [1,0,0,1,0,0|1,1,0]=4 382 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.18 NC(=S)N1CCC1 MCULE-5688954257 [1,0,0,1,0,0|1,0,0]=3 384 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [1,0,0,1,0,0|1,1,0]=4 385 B7R1.1 C=CC1CCCC1 MCULE-6144532155 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [1,0,0,1,0,0|2,0,0]=4 388 B7R1.1 CCN1CCCC1 MCULE-3590039255 [1,0,0,1,0,0|1,0,1]=4 389 B7R1.1 N#CN1CCCC1 MCULE-2010942719 [1,0,0,1,0,0|1,0,1]=4 390 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [1,0,0,1,0,0|1,1,0]=4 391 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [1,0,0,1,0,0|0,1,0]=3 392 B7R1.1 O=NN1CCCC1 MCULE-8449068120 [1,0,0,1,0,0|1,1,0]=4 393 B7R1.1 SCC1CCCC1 MCULE-7973872166 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.29 CCC1(CC1)C=O MCULE-9240015002 [1,0,0,1,0,0|1,1,0]=4 395 B9R1.2 CCN1CCCC(=O)C1 MCULE-1438900169 [0,0,0,1,0,1|1,1,0]=4 396 B9R1.2 CCN1CCCC(=O)C1 MCULE-2924579479 [0,0,0,1,0,1|1,1,0]=4 397 B9R1.2 CCN1CCNC(=O)C1 MCULE-1191268798 [0,0,0,1,0,1|1,1,0]=4 398 B9R1.2 CCN1CCNC(=O)C1 MCULE-5823830618 [0,0,0,1,0,1|1,1,0]=4 399 B9R1.2 COC1CCSC(=S)N1 MCULE-9429009791 [0,0,0,1,0,1|2,0,0]=4 400 B9R1.13 C=C(Br)CN1CCCC1 MCULE-2647782454 [0,0,0,1,0,1|2,0,0]=4 401 B9R1.13 C=C(Br)CN1CCCC1 MCULE-3198165529 [0,0,0,1,0,1|2,0,0]=4 402 B9R1.13 CC(=O)CN1CCCC1 MCULE-7257105125 [0,0,0,1,0,1|1,1,0]=4 403 B9R1.13 N=C(N)CN1CCCC1 MCULE-4701046871 [0,0,0,1,0,1|2,0,0]=4 404 B9R1.13 N=C(N)CN1CCCC1 MCULE-6983675892 [0,0,0,1,0,1|2,0,0]=4 405 B9R1.13 NC(=S)CC1CCCC1 MCULE-6979331241 [0,0,0,1,0,1|2,0,0]=4 406 B9R1.13 NC(=S)NC1CCCC1 MCULE-6223276405 [0,0,0,1,0,1|2,0,0]=4 407 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-5855966340 [0,0,0,1,0,1|1,1,0]=4 408 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-7423158222 [0,0,0,1,0,1|1,1,0]=4 409 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [0,0,0,1,0,1|0,2,0]=4 410 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [0,0,0,1,0,1|0,2,0]=4 411 B9R1.13 S=C([S-])NN1CCCC1 MCULE-3729859426 [0,0,0,1,0,1|0,0,1]=3 412 B9R1.13 S=C([S-])NN1CCCC1 MCULE-5197908115 [0,0,0,1,0,1|0,0,1]=3 413 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [0,0,0,1,0,1|0,2,0]=4 414 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [0,0,0,1,0,1|0,2,0]=4 415 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [0,0,0,1,0,1|0,2,0]=4 416 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [0,1,0,1,0,0|1,1,0]=4 417 B9R1.6 CC(=O)N1CCCNC1 MCULE-1504945403 [0,1,0,1,0,0|1,1,0]=4 418 B9R1.6 CC(=O)N1CCNCC1 MCULE-6090938298 [0,1,0,1,0,0|1,1,0]=4 419 B9R1.6 CC(=O)N1CCNCC1 MCULE-6273641444 [0,1,0,1,0,0|1,1,0]=4 420 B9R1.6 CC(=O)N1CCOCC1 MCULE-8135519320 [0,1,0,1,0,0|1,1,0]=4 421 B9R1.6 N=C(N)N1CCCCC1 MCULE-1949406939 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.6 N=C(N)N1CCCCC1 MCULE-4074763290 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.6 N=C(N)N1CCCCC1 MCULE-4391511847 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.6 N=C(N)N1CCCCC1 MCULE-6020071553 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.6 N=C(N)N1CCCCC1 MCULE-6436130948 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.6 N=C(N)N1CCCCC1 MCULE-7924235577 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.6 N=C(N)N1CCNCC1 MCULE-1061785770 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.6 N=C(N)N1CCNCC1 MCULE-7545173576 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.6 N=C(N)N1CCNCC1 MCULE-8331323401 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.6 N=C(N)N1CCNCC1 MCULE-8556219303 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.6 N=C(N)N1CCOCC1 MCULE-1375941942 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.6 N=C(N)N1CCOCC1 MCULE-2091955958 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.6 N=C(N)N1CCOCC1 MCULE-2780294354 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.6 N=C(N)N1CCOCC1 MCULE-2904401269 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.6 N=C(N)N1CCOCC1 MCULE-7640540249 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.6 N=C(N)N1CCOCC1 MCULE-8547826146 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.6 N=C(N)N1CCOCC1 MCULE-9805787549 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.6 N=C(N)N1CCSCC1 MCULE-1035907164 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.6 N=C(N)N1CCSCC1 MCULE-9230892148 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.6 N=C(N)N1CCSCC1 MCULE-9378394572 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.6 NC(=O)N1CCCCC1 MCULE-9935688246 [0,1,0,1,0,0|1,1,0]=4 442 B9R1.6 NC(=O)N1CCNCC1 MCULE-2703076090 [0,1,0,1,0,0|1,1,0]=4 443 B9R1.6 NC(=O)N1CCNCC1 MCULE-9778565861 [0,1,0,1,0,0|1,1,0]=4 444 B9R1.6 NC(=O)N1CCOCC1 MCULE-2181195591 [0,1,0,1,0,0|1,1,0]=4 445 B9R1.6 NC(=S)C1CCCCC1 MCULE-8109334870 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.6 NC(=S)C1CCCOC1 MCULE-7147213341 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.6 NC(=S)C1CCNCC1 MCULE-6109847413 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.6 NC(=S)C1CCOCC1 MCULE-6355388595 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.6 NC(=S)N1CCCCC1 MCULE-1564707293 [0,1,0,1,0,0|1,0,0]=3 450 B9R1.6 NC(=S)N1CCNCC1 MCULE-5753295153 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.6 NC(=S)N1CCOCC1 MCULE-9473931640 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.6 NC(=S)N1CCSCC1 MCULE-9993053346 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.6 O=C(Cl)N1CCCCC1 MCULE-8197895576 [0,1,0,1,0,0|1,1,0]=4 454 B9R1.6 O=C(Cl)N1CCOCC1 MCULE-6303586319 [0,1,0,1,0,0|1,1,0]=4 455 B9R1.6 O=C(Cl)N1CCSCC1 MCULE-7153763312 [0,1,0,1,0,0|1,1,0]=4 456 B9R1.6 O=C(F)N1CCNCC1 MCULE-3929907191 [0,1,0,1,0,0|1,1,0]=4 457 B9R1.6 O=C(F)N1CCNCC1 MCULE-8030550291 [0,1,0,1,0,0|1,1,0]=4 458 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,1,0,1,0,0|0,2,0]=4 459 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,1,0,1,0,0|0,2,0]=4 460 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,1,0,1,0,0|0,2,0]=4 461 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,1,0,1,0,0|0,2,0]=4 462 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,1,0,1,0,0|0,2,0]=4 463 B9R1.6 S=C(S)N1CCCCC1 MCULE-3707818588 [0,1,0,1,0,0|0,0,0]=2 464 B9R1.6 S=C(S)N1CCCCC1 MCULE-9173625423 [0,1,0,1,0,0|0,0,0]=2 465 B9R1.6 S=C(S)N1CCOCC1 MCULE-3748439158 [0,1,0,1,0,0|0,0,0]=2 466 B9R1.6 S=C([S-])N1CCOCC1 MCULE-8183647674 [0,1,0,1,0,0|0,0,1]=3 467 B9R1.6 [NH2+]=C(N)N1CCCCC1 MCULE-2030047624 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.15 CCC1OCCNC1=S MCULE-9322580920 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.15 CCN1CCCNC1=O MCULE-6927699575 [0,1,0,1,0,0|1,1,0]=4 470 B9R1.15 CCN1CCNCC1=O MCULE-3217588057 [0,1,0,1,0,0|1,1,0]=4 471 B9R1.15 CCN1CCNCC1=O MCULE-3306861948 [0,1,0,1,0,0|1,1,0]=4 472 B9R1.33 C=CCN1CCSC1=N MCULE-6876878489 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.33 C=CCN1CCSC1=N MCULE-7968841727 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.33 CCCN1CCCC1=O MCULE-4645322719 [0,1,0,1,0,0|1,1,0]=4 475 B9R1.33 CCCN1CCNC1=S MCULE-9744608074 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.33 NCCN1CCCC1=O MCULE-4385413489 [0,1,0,1,0,0|1,1,0]=4 477 B9R1.33 NCCN1CCCC1=O MCULE-6558299461 [0,1,0,1,0,0|1,1,0]=4 478 B9R1.33 NCCN1CCCC1=O MCULE-8578984383 [0,1,0,1,0,0|1,1,0]=4 479 B9R1.33 NCCN1CCNC1=O MCULE-8206548892 [0,1,0,1,0,0|1,1,0]=4 480 B9R1.33 NCCN1CCNC1=S MCULE-4291937253 [0,1,0,1,0,0|1,0,0]=3 481 B9R1.33 NCCN1CCOC1=O MCULE-2249111154 [0,1,0,1,0,0|0,2,0]=4 482 B9R1.33 NCCN1CCOC1=O MCULE-5564763400 [0,1,0,1,0,0|0,2,0]=4 483 B9R1.33 O=C1CCCN1CCBr MCULE-8609405083 [0,1,0,1,0,0|1,1,0]=4 484 B9R1.33 O=C1CCCN1CCCl MCULE-2170579993 [0,1,0,1,0,0|1,1,0]=4 485 B9R1.33 O=C1CCCN1CCI MCULE-5597930583 [0,1,0,1,0,0|1,1,0]=4 486 B9R1.33 O=C1CCCN1CCO MCULE-7117687978 [0,1,0,1,0,0|1,1,0]=4 487 B9R1.33 O=C1NCCN1CCBr MCULE-8311634228 [0,1,0,1,0,0|1,1,0]=4 488 B9R1.33 O=C1NCCN1CCCl MCULE-8605766746 [0,1,0,1,0,0|1,1,0]=4 489 B9R1.33 O=C1NCCN1CCO MCULE-9247043792 [0,1,0,1,0,0|1,1,0]=4 490 B9R1.33 O=C1OCCN1CCBr MCULE-7101781971 [0,1,0,1,0,0|0,2,0]=4 491 B9R1.33 O=C1OCCN1CCCl MCULE-4112525203 [0,1,0,1,0,0|0,2,0]=4 492 B9R1.33 O=C1OCCN1CCO MCULE-9126918441 [0,1,0,1,0,0|0,2,0]=4 493 B9R1.33 OCCN1CCNC1=S MCULE-1279321585 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.33 OCCN1CCSC1=S MCULE-1559562121 [0,1,0,1,0,0|0,0,0]=2 495 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,1,0,1,0,0|1,1,0]=4 496 B9R1.35 CC(=O)N1CCC(C1)Br MCULE-8355936501 [0,1,0,1,0,0|1,1,0]=4 497 B9R1.35 CC(=O)N1CCC(C1)Cl MCULE-6832350132 [0,1,0,1,0,0|1,1,0]=4 498 B9R1.35 CC(=O)N1CCC(C1)I MCULE-8317311112 [0,1,0,1,0,0|1,1,0]=4 499 B9R1.35 CC(=O)N1CCC(C1)N MCULE-4859899694 [0,1,0,1,0,0|1,1,0]=4 500 B9R1.35 CC(=O)N1CCC(C1)N MCULE-5207016672 [0,1,0,1,0,0|1,1,0]=4 501 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,1,0,1,0,0|1,1,0]=4 502 B9R1.35 CC(=O)N1CC[C@@H](C1)Br MCULE-1322966275 [0,1,0,1,0,0|1,1,0]=4 503 B9R1.35 CC(=O)N1CC[C@@H](C1)Cl MCULE-2029967624 [0,1,0,1,0,0|1,1,0]=4 504 B9R1.35 CC(=O)N1CC[C@@H](C1)I MCULE-7320383470 [0,1,0,1,0,0|1,1,0]=4 505 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-2398948421 [0,1,0,1,0,0|1,1,0]=4 506 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-5902852942 [0,1,0,1,0,0|1,1,0]=4 507 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-7792031754 [0,1,0,1,0,0|1,1,0]=4 508 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-9501815600 [0,1,0,1,0,0|1,1,0]=4 509 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,1,0,1,0,0|1,1,0]=4 510 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,1,0,1,0,0|1,1,0]=4 511 B9R1.35 CC(=O)N1CC[C@H](C1)Br MCULE-4315476515 [0,1,0,1,0,0|1,1,0]=4 512 B9R1.35 CC(=O)N1CC[C@H](C1)Cl MCULE-4172580306 [0,1,0,1,0,0|1,1,0]=4 513 B9R1.35 CC(=O)N1CC[C@H](C1)I MCULE-1825691667 [0,1,0,1,0,0|1,1,0]=4 514 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-2775875761 [0,1,0,1,0,0|1,1,0]=4 515 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-3800389790 [0,1,0,1,0,0|1,1,0]=4 516 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-5934390450 [0,1,0,1,0,0|1,1,0]=4 517 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-6629805054 [0,1,0,1,0,0|1,1,0]=4 518 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,1,0,1,0,0|1,1,0]=4 519 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,1,0,1,0,0|1,1,0]=4 520 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [0,1,0,1,0,0|1,1,0]=4 521 B9R1.35 N=C(N)N1CCC(C1)O MCULE-4691653250 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.35 N=C(N)N1CCC(C1)O MCULE-6578584286 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.35 NC(=O)N1CCC(C1)N MCULE-1767398338 [0,1,0,1,0,0|1,1,0]=4 524 B9R1.35 NC(=O)N1CCC(C1)N MCULE-2883297977 [0,1,0,1,0,0|1,1,0]=4 525 B9R1.41 CC(=O)N1CCNC1=S MCULE-6634615380 [0,1,0,1,0,0|1,0,1]=4 526 B9R1.41 CC(=O)N1CCSC1=S MCULE-1158936764 [0,1,0,1,0,0|0,0,1]=3 527 B9R1.41 CC(C)N1CCCC1=O MCULE-9119033242 [0,1,0,1,0,0|1,1,0]=4 528 B9R1.41 CC(C)N1CCNC1=O MCULE-1546837295 [0,1,0,1,0,0|1,1,0]=4 529 B9R1.41 CC(C)N1CCNC1=S MCULE-1176908936 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.41 CC(C)N1CCOC1=O MCULE-9080716253 [0,1,0,1,0,0|0,2,0]=4 531 B9R1.27 CCN1C(=O)CNC1=S MCULE-4101647203 [0,1,0,1,0,0|1,0,1]=4 532 B9R1.27 CCN1C(=O)COC1=S MCULE-8441116729 [0,1,0,1,0,0|0,1,1]=4 533 B9R1.27 CCN1C(=O)CSC1=S MCULE-7069138767 [0,1,0,1,0,0|0,0,1]=3 534 B9R1.27 CCN1C(=S)NN=C1C MCULE-9120886653 [0,1,0,1,0,0|1,0,1]=4 535 B9R1.11 C#CC(=O)N1CCCC1 MCULE-1552230131 [0,1,0,1,0,0|1,1,0]=4 536 B9R1.11 C=CC(=O)N1CCCC1 MCULE-9314569500 [0,1,0,1,0,0|1,1,0]=4 537 B9R1.11 COC(=O)N1CCCC1 MCULE-1240116216 [0,1,0,1,0,0|0,2,0]=4 538 B9R1.11 N/C(=N/O)/N1CCCC1 MCULE-8007335584 [0,1,0,1,0,0|1,1,0]=4 539 B9R1.11 NCC(=O)N1CCCC1 MCULE-3024051267 [0,1,0,1,0,0|1,1,0]=4 540 B9R1.11 NCC(=O)N1CCCC1 MCULE-5492264097 [0,1,0,1,0,0|1,1,0]=4 541 B9R1.11 NCC(=O)N1CCCC1 MCULE-9879098395 [0,1,0,1,0,0|1,1,0]=4 542 B9R1.11 O=C(CBr)N1CCCC1 MCULE-2041605022 [0,1,0,1,0,0|1,1,0]=4 543 B9R1.11 O=C(CCl)N1CCCC1 MCULE-3675689386 [0,1,0,1,0,0|1,1,0]=4 544 B9R1.11 O=C(CO)N1CCCC1 MCULE-6227389604 [0,1,0,1,0,0|0,2,0]=4 545 B9R1.14 CCN1CCN=C1SC MCULE-9147980101 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.14 CCN1CCN=C1SC MCULE-9652292629 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.14 CCN\1CCN/C1=N/N MCULE-8030939226 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.132 CCN1CCC(=O)C1=O MCULE-7001636786 [0,1,0,1,0,0|0,2,0]=4 549 B9R1.132 CCN1CCC(C1=O)Br MCULE-9719570091 [0,1,0,1,0,0|1,1,0]=4 550 B9R1.132 CCN1CCC(C1=O)N MCULE-1999772787 [0,1,0,1,0,0|1,1,0]=4 551 B9R1.132 CCN1CCC(C1=O)N MCULE-9509776424 [0,1,0,1,0,0|1,1,0]=4 552 B9R1.163 NC(=S)C1(CCCC1)N MCULE-1374309481 [0,1,0,1,0,0|2,0,0]=4 553 B9R2.3 C1CN2CCNC2=N1 MCULE-6532273134 [0,0,0,2,0,0|2,0,0]=4 554 B9R2.3 C1CN2CCNC2=N1 MCULE-9427252572 [0,0,0,2,0,0|2,0,0]=4 555 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [1,0,0,0,0,1|2,0,0]=4 556 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [1,0,0,0,0,1|1,1,0]=4 557 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [1,0,0,0,0,1|1,1,0]=4 558 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [1,0,0,0,0,1|0,2,0]=4 559 B9R0.43 CCN(CC)CCC(=N)N MCULE-5642965975 [0,0,0,0,0,2|2,0,0]=4 560 B9R0.43 CCN(CC)CCC(=N)N MCULE-6479563814 [0,0,0,0,0,2|2,0,0]=4 561 B9R0.43 CCN(CC)CCC(=O)C MCULE-9384286876 [0,0,0,0,0,2|1,1,0]=4 562 B9R0.43 CCN(CC)CCC(=O)N MCULE-3761363591 [0,0,0,0,0,2|1,1,0]=4 563 B9R0.43 CCN(CC)CCC(=O)O MCULE-3198217857 [0,0,0,0,0,2|0,2,0]=4 564 B9R0.43 CCN(CC)CCC(=O)O MCULE-7749215074 [0,0,0,0,0,2|0,2,0]=4