0 B13R0.280 CCCCCCCCCCP(=O)(C)C MCULE-7993897252 [0,0,0,0,0,0|3,0,0]=3 1 B13R0.280 CCCCCCCCCCP(=O)(O)O MCULE-1652235001 [0,0,0,0,0,0|1,0,1]=2 2 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl MCULE-6241290151 [0,0,0,0,0,0|1,0,0]=1 3 B13R0.280 CCCCCCCCCCS(=O)(=O)N MCULE-9253411450 [0,0,0,0,0,0|1,0,0]=1 4 B13R0.280 CCCCCCCCCCS(=O)(=O)O MCULE-1242262217 [0,0,0,0,0,0|0,0,0]=0 5 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] MCULE-7783749388 [0,0,0,0,0,0|0,0,1]=1 6 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-3384760582 [0,0,0,0,0,0|4,0,0]=4 7 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-7441976704 [0,0,0,0,0,0|4,0,0]=4 8 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-9457271107 [0,0,0,0,0,0|4,0,0]=4 9 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] MCULE-9878706939 [0,0,0,0,0,0|3,0,1]=4 10 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl MCULE-6793568340 [0,0,0,0,0,0|4,0,0]=4 11 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl MCULE-9569407905 [0,0,0,0,0,0|4,0,0]=4 12 B13R0.280 CCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-2592527518 [0,0,0,0,0,0|4,0,0]=4 13 B13R0.280 COCCOCCOCCS(=O)(=O)Cl MCULE-3304524388 [0,0,0,0,0,0|4,0,0]=4 14 B12R0.119 CCCCCCCCCP(=O)(O)O MCULE-4052139199 [1,0,0,0,0,0|1,0,1]=3 15 B12R0.119 CCCCCCCCCS(=O)(=O)Cl MCULE-8052966186 [1,0,0,0,0,0|1,0,0]=2 16 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-1927567552 [1,0,0,0,0,0|0,0,1]=2 17 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-3281419364 [1,0,0,0,0,0|0,0,1]=2 18 B12R0.119 CCCCCCCCOP(=O)(O)O MCULE-5203489281 [1,0,0,0,0,0|2,0,1]=4 19 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] MCULE-5107186458 [1,0,0,0,0,0|1,0,1]=3 20 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] MCULE-8859174394 [1,0,0,0,0,0|1,0,1]=3 21 B12R0.119 O=S(=O)(O)CCOCCOCCO MCULE-7546630630 [1,0,0,0,0,0|3,0,0]=4 22 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [1,0,0,0,0,0|1,0,2]=4 23 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [1,0,0,0,0,0|3,0,0]=4 24 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [1,0,0,0,0,0|3,0,0]=4 25 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [1,0,0,0,0,0|3,0,0]=4 26 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [1,0,0,0,0,0|1,0,2]=4 27 B12R0.234 C=CCCCCCCCCN(=O)=O MCULE-9960791760 [1,0,0,0,0,0|1,0,2]=4 28 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [1,0,0,0,0,0|1,0,2]=4 29 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [1,0,0,0,0,0|1,0,2]=4 30 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [1,0,0,0,0,0|1,0,2]=4 31 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [1,0,0,0,0,0|1,0,1]=3 32 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [1,0,0,0,0,0|2,0,0]=3 33 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [1,0,0,0,0,0|2,0,0]=3 34 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [1,0,0,0,0,0|2,0,0]=3 35 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [1,0,0,0,0,0|1,0,0]=2 36 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [1,0,0,0,0,0|3,0,0]=4 37 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [1,0,0,0,0,0|2,0,0]=3 38 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [1,0,0,0,0,0|1,0,0]=2 39 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [1,0,0,0,0,0|3,0,0]=4 40 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [1,0,0,0,0,0|1,0,1]=3 41 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [1,0,0,0,0,0|3,0,0]=4 42 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [1,0,0,0,0,0|3,0,0]=4 43 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [1,0,0,0,0,0|3,0,0]=4 44 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [1,0,0,0,0,0|2,0,0]=3 45 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [1,0,0,0,0,0|3,0,0]=4 46 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [1,0,0,0,0,0|3,0,0]=4 47 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [1,0,0,0,0,0|2,0,0]=3 48 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [1,0,0,0,0,0|2,0,0]=3 49 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [1,0,0,0,0,0|2,0,0]=3 50 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [1,0,0,0,0,0|3,0,0]=4 51 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [1,0,0,0,0,0|2,0,0]=3 52 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [1,0,0,0,0,0|2,0,1]=4 53 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [1,0,0,0,0,0|2,0,0]=3 54 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [1,0,0,0,0,0|2,0,0]=3 55 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [1,0,0,0,0,0|2,0,0]=3 56 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [1,0,0,0,0,0|2,0,0]=3 57 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [1,0,0,0,0,0|2,0,0]=3 58 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [1,0,0,0,0,0|2,0,0]=3 59 B14R0.88 CCCCCCCCCCCP(=O)(O)O MCULE-1217279150 [0,1,0,0,0,0|1,0,1]=3 60 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [0,1,0,0,0,0|0,0,1]=2 61 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [0,1,0,0,0,0|0,0,1]=2 62 B14R0.88 CCCCCCCCCCOP(=O)(O)O MCULE-6182561553 [0,1,0,0,0,0|1,0,1]=3 63 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [0,1,0,0,0,0|1,0,1]=3 64 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [0,1,0,0,0,0|0,0,0]=1 65 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] MCULE-7216166437 [0,1,0,0,0,0|0,0,1]=2 66 B14R0.88 CS(=O)(=O)CCCCCCCCCC#N MCULE-1747577341 [0,1,0,0,0,0|1,0,1]=3 67 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-5353498495 [0,1,0,0,0,0|1,0,1]=3 68 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-8370982773 [0,1,0,0,0,0|1,0,1]=3 69 B14R0.88 O=P(O)(O)CCCCCCCCCCBr MCULE-8137402085 [0,1,0,0,0,0|1,0,1]=3 70 B14R0.2056 CCCCCCCCCCS(=O)(=O)NN MCULE-3501182518 [0,1,0,0,0,0|1,0,0]=2 71 B14R0.2056 CCCCCCCCCC[Si](C)(C)OC MCULE-9665173477 [0,1,0,0,0,0|3,0,0]=4 72 B14R1.3331 CS(=O)(=O)NCCSC1CCCCC1 MCULE-4420635041 [0,0,0,1,0,0|3,0,0]=4 73 B14R1.3331 O=S(=O)(O)CCCCN1CCNCC1 MCULE-8282584470 [0,0,0,1,0,0|2,0,0]=3 74 B14R1.3331 O=S(=O)(O)CCCCN1CCOCC1 MCULE-9858919338 [0,0,0,1,0,0|2,0,0]=3 75 B14R1.3331 O=S(=O)(O)CCCNC1CCCCC1 MCULE-7620727007 [0,0,0,1,0,0|1,0,0]=2 76 B14R1.3331 O=S(=O)([O-])CCCNC1CCCCC1 MCULE-5022222381 [0,0,0,1,0,0|1,0,1]=3 77 B14R1.3453 CCCCCCOC1CCS(=O)(=O)C1 MCULE-9137999615 [0,0,0,1,0,0|2,0,0]=3 78 B14R1.4972 CC1(CCCCCCCCCCC1)O MCULE-6571841065 [0,0,0,1,0,0|3,0,0]=4 79 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [2,0,0,0,0,0|2,0,0]=4 80 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [2,0,0,0,0,0|2,0,0]=4 81 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [2,0,0,0,0,0|2,0,0]=4 82 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [2,0,0,0,0,0|2,0,0]=4 83 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [2,0,0,0,0,0|1,0,0]=3 84 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [2,0,0,0,0,0|1,0,0]=3 85 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [2,0,0,0,0,0|1,0,1]=4 86 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [2,0,0,0,0,0|1,0,1]=4 87 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [2,0,0,0,0,0|2,0,0]=4 88 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [2,0,0,0,0,0|1,0,0]=3 89 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [2,0,0,0,0,0|2,0,0]=4 90 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [2,0,0,0,0,0|2,0,0]=4 91 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [2,0,0,0,0,0|2,0,0]=4 92 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [2,0,0,0,0,0|2,0,0]=4 93 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [2,0,0,0,0,0|2,0,0]=4 94 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [2,0,0,0,0,0|2,0,0]=4 95 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [2,0,0,0,0,0|2,0,0]=4 96 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [2,0,0,0,0,0|2,0,0]=4 97 B11R0.148 O=N(=O)CCCCCCCCBr MCULE-5806801538 [2,0,0,0,0,0|2,0,0]=4 98 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [2,0,0,0,0,0|2,0,0]=4 99 B11R0.159 CCCCCCCCP(=O)(O)O MCULE-2397771742 [2,0,0,0,0,0|1,0,1]=4 100 B11R0.159 CCCCCCCCS(=O)(=O)Cl MCULE-7906722324 [2,0,0,0,0,0|1,0,0]=3 101 B11R0.159 CCCCCCCCS(=O)(=O)N MCULE-8276362302 [2,0,0,0,0,0|1,0,0]=3 102 B11R0.159 CCCCCCCCS(=O)(=O)O MCULE-2083628454 [2,0,0,0,0,0|0,0,0]=2 103 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MCULE-9017426987 [2,0,0,0,0,0|0,0,1]=3 104 B11R0.159 CCCCCCCOS(=O)(=O)O MCULE-8923295424 [2,0,0,0,0,0|1,0,0]=3 105 B11R0.159 CCCCCCCOS(=O)(=O)[O-] MCULE-7971963876 [2,0,0,0,0,0|1,0,1]=4 106 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [2,0,0,0,0,0|2,0,0]=4 107 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [2,0,0,0,0,0|2,0,0]=4 108 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [2,0,0,0,0,0|2,0,0]=4 109 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [2,0,0,0,0,0|1,0,0]=3 110 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [2,0,0,0,0,0|2,0,0]=4 111 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [2,0,0,0,0,0|2,0,0]=4 112 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [2,0,0,0,0,0|2,0,0]=4 113 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [2,0,0,0,0,0|2,0,0]=4 114 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [2,0,0,0,0,0|2,0,0]=4 115 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [2,0,0,0,0,0|1,0,0]=3 116 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [2,0,0,0,0,0|1,1,0]=4 117 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [2,0,0,0,0,0|2,0,0]=4 118 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [2,0,0,0,0,0|2,0,0]=4 119 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [2,0,0,0,0,0|1,1,0]=4 120 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [2,0,0,0,0,0|1,1,0]=4 121 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [2,0,0,0,0,0|1,1,0]=4 122 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [2,0,0,0,0,0|1,0,1]=4 123 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [2,0,0,0,0,0|2,0,0]=4 124 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [2,0,0,0,0,0|2,0,0]=4 125 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [2,0,0,0,0,0|2,0,0]=4 126 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [2,0,0,0,0,0|2,0,0]=4 127 B11R0.3 CCCCCCCNCCCO MCULE-1187615586 [2,0,0,0,0,0|2,0,0]=4 128 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [2,0,0,0,0,0|2,0,0]=4 129 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [2,0,0,0,0,0|2,0,0]=4 130 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [2,0,0,0,0,0|2,0,0]=4 131 B11R0.3 NCCCCCCCCCCO MCULE-6627355175 [2,0,0,0,0,0|2,0,0]=4 132 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [2,0,0,0,0,0|2,0,0]=4 133 B11R0.3 OCCCCCCCCCCBr MCULE-9238949531 [2,0,0,0,0,0|2,0,0]=4 134 B11R0.3 OCCCCCCCCCCCl MCULE-7857761317 [2,0,0,0,0,0|2,0,0]=4 135 B11R0.3 OCCCCCCCCCCF MCULE-6916719760 [2,0,0,0,0,0|2,0,0]=4 136 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [2,0,0,0,0,0|2,0,0]=4 137 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)O MCULE-9008979390 [1,1,0,0,0,0|1,0,1]=4 138 B13R0.1215 CCCCCCCCCS(=O)(=O)NN MCULE-1193670982 [1,1,0,0,0,0|1,0,0]=3 139 B13R0.1215 CCS(=O)(=O)CCCCCCCCO MCULE-3495101460 [1,1,0,0,0,0|2,0,0]=4 140 B13R0.1 CCCCCCC(=O)CCCC(=O)O MCULE-4056750992 [1,1,0,0,0,0|1,0,1]=4 141 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [1,1,0,0,0,0|1,0,0]=3 142 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [1,1,0,0,0,0|1,0,1]=4 143 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [1,1,0,0,0,0|1,0,1]=4 144 B13R0.54 C=CCCCCCCCCCN(=O)=O MCULE-7314787792 [1,1,0,0,0,0|1,0,1]=4 145 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [1,1,0,0,0,0|1,0,1]=4 146 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [1,1,0,0,0,0|1,0,1]=4 147 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [1,1,0,0,0,0|1,0,1]=4 148 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [1,1,0,0,0,0|1,0,1]=4 149 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [1,1,0,0,0,0|2,0,0]=4 150 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [1,1,0,0,0,0|2,0,0]=4 151 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [1,1,0,0,0,0|2,0,0]=4 152 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [1,1,0,0,0,0|1,0,0]=3 153 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [1,1,0,0,0,0|1,0,1]=4 154 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [1,1,0,0,0,0|1,0,1]=4 155 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [1,1,0,0,0,0|1,0,1]=4 156 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [1,1,0,0,0,0|1,0,1]=4 157 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [1,1,0,0,0,0|2,0,0]=4 158 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [1,1,0,0,0,0|1,0,0]=3 159 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [1,1,0,0,0,0|2,0,0]=4 160 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [1,1,0,0,0,0|2,0,0]=4 161 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [1,1,0,0,0,0|2,0,0]=4 162 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [1,1,0,0,0,0|1,0,0]=3 163 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [1,1,0,0,0,0|2,0,0]=4 164 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [1,1,0,0,0,0|1,0,0]=3 165 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [1,1,0,0,0,0|1,0,1]=4 166 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [1,1,0,0,0,0|1,0,0]=3 167 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [1,1,0,0,0,0|1,0,0]=3 168 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [1,1,0,0,0,0|2,0,0]=4 169 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [1,1,0,0,0,0|1,0,0]=3 170 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [1,1,0,0,0,0|1,0,1]=4 171 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [1,1,0,0,0,0|2,0,0]=4 172 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [1,1,0,0,0,0|1,0,0]=3 173 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [1,1,0,0,0,0|1,0,0]=3 174 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [1,1,0,0,0,0|1,0,0]=3 175 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [1,1,0,0,0,0|1,0,0]=3 176 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [1,1,0,0,0,0|2,0,0]=4 177 B13R0.54 O=N(=O)CCCCCCCCCCBr MCULE-8717758522 [1,1,0,0,0,0|1,0,0]=3 178 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [1,1,0,0,0,0|1,0,0]=3 179 B13R0.88 CCCC(=O)CCCCCCC(=O)O MCULE-7655272143 [1,1,0,0,0,0|1,0,1]=4 180 B13R0.119 CCCCC(=O)CCCCCC(=O)O MCULE-7182880008 [1,1,0,0,0,0|1,0,1]=4 181 B13R0.147 CCCCCCCCCCC(=N)NO MCULE-8351830126 [1,1,0,0,0,0|2,0,0]=4 182 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [1,1,0,0,0,0|2,0,0]=4 183 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [1,1,0,0,0,0|1,0,0]=3 184 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [1,1,0,0,0,0|2,0,0]=4 185 B13R0.147 CCCCCCCCCCC(C)CO MCULE-5502474074 [1,1,0,0,0,0|2,0,0]=4 186 B13R0.147 CCCCCCCCCCC(O)CN MCULE-5193471557 [1,1,0,0,0,0|2,0,0]=4 187 B13R0.147 CCCCCCCCCCC(O)CO MCULE-2615675340 [1,1,0,0,0,0|1,0,1]=4 188 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-5249425084 [1,1,0,0,0,0|2,0,0]=4 189 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-6389413958 [1,1,0,0,0,0|2,0,0]=4 190 B13R0.147 CCCCCCCCCC[C@@H](O)CO MCULE-6042369532 [1,1,0,0,0,0|1,0,1]=4 191 B13R0.147 CCCCCCCCCC[C@H](O)CO MCULE-1604714068 [1,1,0,0,0,0|1,0,1]=4 192 B13R0.147 CCCCCCCNCCC(=O)OC MCULE-4012206227 [1,1,0,0,0,0|2,0,0]=4 193 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [1,1,0,0,0,0|2,0,0]=4 194 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [1,1,0,0,0,0|2,0,0]=4 195 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [1,1,0,0,0,0|2,0,0]=4 196 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [1,1,0,0,0,0|2,0,0]=4 197 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [1,1,0,0,0,0|1,0,0]=3 198 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [1,1,0,0,0,0|1,0,0]=3 199 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [1,1,0,0,0,0|1,0,0]=3 200 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [1,1,0,0,0,0|1,0,0]=3 201 B13R0.154 CCCCCCCC(=O)CCC(=O)O MCULE-3369465256 [1,1,0,0,0,0|1,0,1]=4 202 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-5105119706 [1,1,0,0,0,0|1,0,1]=4 203 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-6637797878 [1,1,0,0,0,0|1,0,1]=4 204 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [1,1,0,0,0,0|1,0,1]=4 205 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [1,1,0,0,0,0|1,0,0]=3 206 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [1,1,0,0,0,0|1,0,0]=3 207 B13R0.188 CCCCCC(=O)CCCCC(=O)O MCULE-9827668199 [1,1,0,0,0,0|1,0,1]=4 208 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [1,1,0,0,0,0|1,0,0]=3 209 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [1,1,0,0,0,0|2,0,0]=4 210 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [1,1,0,0,0,0|2,0,0]=4 211 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [1,1,0,0,0,0|1,0,0]=3 212 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [1,1,0,0,0,0|1,0,0]=3 213 B15R0.252 CCCCCCCCCCCCP(=O)(O)O MCULE-4386293340 [0,2,0,0,0,0|1,0,1]=4 214 B15R0.252 CCCCCCCCCCCCS(=O)(=O)Cl MCULE-1364603769 [0,2,0,0,0,0|1,0,0]=3 215 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N MCULE-3829448149 [0,2,0,0,0,0|1,0,0]=3 216 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O MCULE-2609476147 [0,2,0,0,0,0|0,0,0]=2 217 B15R0.252 CCCCCCCCCCCCS(=O)(=O)[O-] MCULE-8547025937 [0,2,0,0,0,0|0,0,1]=3 218 B15R0.252 CCCCCCCCCCCOS(=O)(=O)C MCULE-1998014909 [0,2,0,0,0,0|1,0,0]=3 219 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-7806053327 [0,2,0,0,0,0|0,0,1]=3 220 B15R0.252 CCCCCCCCCCCOS(=O)(=O)[O-] MCULE-8045056638 [0,2,0,0,0,0|0,0,1]=3 221 B15R0.252 NCCOCCOCCOCCS(=O)(=O)O MCULE-2778493269 [0,2,0,0,0,0|2,0,0]=4 222 B15R0.252 O=P(O)(O)CCCCCCCCCCCO MCULE-5197305558 [0,2,0,0,0,0|1,0,1]=4 223 B15R0.252 O=P(O)(O)CCCCCCCCCCCS MCULE-3559004156 [0,2,0,0,0,0|1,0,1]=4 224 B15R0.252 O=S(=O)(O)CCOCCOCCOCCO MCULE-9695749260 [0,2,0,0,0,0|2,0,0]=4 225 B15R0.2662 CS(=O)(=O)CCCCCCCCCC(=O)N MCULE-1954720778 [0,2,0,0,0,0|1,0,1]=4 226 B15R0.1157 CCCCCCCCCCS(=O)(=O)CCCl MCULE-3185960914 [0,2,0,0,0,0|1,0,0]=3 227 B13R1.2904 O=S(=O)(Cl)CCOCC1CCCC1 MCULE-9420272854 [1,0,0,1,0,0|2,0,0]=4 228 B13R1.3523 NS(=O)(=O)CCCC1CCCCC1 MCULE-7609013844 [1,0,0,1,0,0|1,0,0]=3 229 B13R1.3523 O=S(=O)(Cl)CCCC1CCCCC1 MCULE-6744397786 [1,0,0,1,0,0|1,0,0]=3 230 B13R1.3523 O=S(=O)(Cl)CCCC1CCOCC1 MCULE-5685645416 [1,0,0,1,0,0|2,0,0]=4 231 B13R1.3523 O=S(=O)(O)CCCN1CCCCC1 MCULE-9326335759 [1,0,0,1,0,0|1,0,0]=3 232 B13R1.3523 O=S(=O)(O)CCCN1CCOCC1 MCULE-9768701257 [1,0,0,1,0,0|2,0,0]=4 233 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 MCULE-1130417163 [1,0,0,1,0,0|1,0,0]=3 234 B13R1.6268 CS(=O)(=O)OCC1CCCCCC1 MCULE-9958703113 [1,0,0,1,0,0|2,0,0]=4 235 B13R1.6279 CS(=O)(=O)NC1CCCCCCC1 MCULE-3202850064 [1,0,0,1,0,0|2,0,0]=4 236 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [1,0,0,1,0,0|1,0,0]=3 237 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [1,0,0,1,0,0|1,0,0]=3 238 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [1,0,0,1,0,0|1,0,0]=3 239 B13R1.90 CCC1CCCCC1OCC(=O)O MCULE-4174544329 [1,0,0,1,0,0|2,0,0]=4 240 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-7797119414 [1,0,0,1,0,0|2,0,0]=4 241 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-8806588553 [1,0,0,1,0,0|2,0,0]=4 242 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-2658022342 [1,0,0,1,0,0|2,0,0]=4 243 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-3288150889 [1,0,0,1,0,0|2,0,0]=4 244 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [1,0,0,1,0,0|2,0,0]=4 245 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [1,0,0,1,0,0|2,0,0]=4 246 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [1,0,0,1,0,0|1,0,0]=3 247 B13R1.279 OC1CCCCCCCCCCC1 MCULE-4246723921 [1,0,0,1,0,0|2,0,0]=4 248 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [1,0,0,1,0,0|1,0,0]=3 249 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [1,0,0,1,0,0|2,0,0]=4 250 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-1700384136 [1,0,0,1,0,0|2,0,0]=4 251 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-3436222840 [1,0,0,1,0,0|2,0,0]=4 252 B13R1.337 O=C(O)CCCSC1CCCCC1 MCULE-1908047550 [1,0,0,1,0,0|2,0,0]=4 253 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-3522959414 [1,0,0,1,0,0|2,0,0]=4 254 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-9583021057 [1,0,0,1,0,0|2,0,0]=4 255 B13R1.337 O=C(O)CCOCC1CCCCC1 MCULE-1183191547 [1,0,0,1,0,0|2,0,0]=4 256 B13R1.337 O=C(O)CCSCC1CCCCC1 MCULE-3460268969 [1,0,0,1,0,0|2,0,0]=4 257 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [1,0,0,1,0,0|2,0,0]=4 258 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [1,0,0,1,0,0|2,0,0]=4 259 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-3702984614 [1,0,0,1,0,0|2,0,0]=4 260 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-4571415668 [1,0,0,1,0,0|2,0,0]=4 261 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-5500239831 [1,0,0,1,0,0|2,0,0]=4 262 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-9998662967 [1,0,0,1,0,0|2,0,0]=4 263 B15R1.3890 O=S(=O)(O)CCCCNC1CCCCC1 MCULE-9713827280 [0,1,0,1,0,0|0,0,0]=2 264 B15R1.9280 CCCCCCCOC1CCS(=O)(=O)C1 MCULE-3943860139 [0,1,0,1,0,0|1,0,0]=3 265 B15R1.3465 O=S(=O)(O)CC(O)CNC1CCCCC1 MCULE-5040740703 [0,1,0,1,0,0|1,0,0]=3 266 B15R1.3465 O=S(=O)([O-])CC(O)CNC1CCCCC1 MCULE-6810529502 [0,1,0,1,0,0|1,0,1]=4 267 B15R2.4441 O=S(=O)(Cl)N1CCC2CCCCC2C1 MCULE-3868626863 [0,0,0,2,0,0|2,0,0]=4 268 B15R2.7532 O=S1(=O)CCC(C1)NC2CCCCC2 MCULE-2370351466 [0,0,0,2,0,0|2,0,0]=4 269 B15R2.7532 O=S1(=O)CCC(C1)NC2CCCCC2 MCULE-6049416984 [0,0,0,2,0,0|2,0,0]=4 270 B15R2.49388 O=S1(=O)CCC(C1)N2CCCCCC2 MCULE-3458635582 [0,0,0,2,0,0|2,0,0]=4 271 B15R2.49388 O=S1(=O)CCC(C1)N2CCCCCC2 MCULE-6773895092 [0,0,0,2,0,0|2,0,0]=4