0 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [0,0,0,0,0,0|0,0,2]=2 2 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [0,0,0,0,0,0|2,0,0]=2 3 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [0,0,0,0,0,0|2,0,0]=2 5 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [0,0,0,0,0,0|1,0,2]=3 6 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [0,0,0,0,0,0|1,0,2]=3 7 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [0,0,0,0,0,0|1,0,2]=3 8 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [0,0,0,0,0,0|0,0,2]=2 9 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [0,0,0,0,0,0|0,0,3]=3 10 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [0,0,0,0,0,0|0,0,3]=3 11 B12R0.234 C=CCCCCCCCCN(=O)=O MCULE-9960791760 [0,0,0,0,0,0|1,0,3]=4 12 B12R0.234 C=CCCCCCCCOC(=O)C MCULE-7392620730 [0,0,0,0,0,0|2,0,2]=4 13 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [0,0,0,0,0,0|0,0,2]=2 14 B12R0.234 CC(=O)NCCCCNCCCN MCULE-7493998252 [0,0,0,0,0,0|4,0,0]=4 15 B12R0.234 CC(=O)NCCCCNCCCN MCULE-9577502089 [0,0,0,0,0,0|4,0,0]=4 16 B12R0.234 CC(=O)NCCCNCCCCN MCULE-3303778613 [0,0,0,0,0,0|4,0,0]=4 17 B12R0.234 CC(=O)NCCCNCCCCN MCULE-8365270729 [0,0,0,0,0,0|4,0,0]=4 18 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [0,0,0,0,0,0|3,0,0]=3 19 B12R0.234 CCC=CCCCCCOC(=O)C MCULE-2714811926 [0,0,0,0,0,0|2,0,2]=4 20 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [0,0,0,0,0,0|1,0,2]=3 21 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [0,0,0,0,0,0|0,0,2]=2 22 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [0,0,0,0,0,0|0,0,2]=2 23 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [0,0,0,0,0,0|1,0,1]=2 24 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [0,0,0,0,0,0|1,0,0]=1 25 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [0,0,0,0,0,0|1,0,0]=1 26 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,0,0,0,0,0|1,0,0]=1 27 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [0,0,0,0,0,0|0,0,0]=0 28 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [0,0,0,0,0,0|2,0,1]=3 29 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [0,0,0,0,0,0|1,0,1]=2 30 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [0,0,0,0,0,0|1,0,1]=2 31 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [0,0,0,0,0,0|3,0,0]=3 32 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [0,0,0,0,0,0|2,0,0]=2 33 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [0,0,0,0,0,0|2,0,0]=2 34 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [0,0,0,0,0,0|2,0,0]=2 35 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-1048722427 [0,0,0,0,0,0|1,2,0]=3 36 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-2082950273 [0,0,0,0,0,0|1,2,0]=3 37 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [0,0,0,0,0,0|3,0,0]=3 38 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [0,0,0,0,0,0|3,0,0]=3 39 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [0,0,0,0,0,0|2,0,1]=3 40 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [0,0,0,0,0,0|1,0,0]=1 41 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [0,0,0,0,0,0|2,0,1]=3 42 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [0,0,0,0,0,0|2,0,0]=2 43 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [0,0,0,0,0,0|1,0,0]=1 44 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [0,0,0,0,0,0|1,0,0]=1 45 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [0,0,0,0,0,0|1,0,0]=1 46 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [0,0,0,0,0,0|2,0,0]=2 47 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [0,0,0,0,0,0|1,0,0]=1 48 B12R0.234 CNCCOCCOCCC(=O)O MCULE-5859151176 [0,0,0,0,0,0|3,0,0]=3 49 B12R0.234 COCCOCCOCCC(=O)Cl MCULE-4397360863 [0,0,0,0,0,0|4,0,0]=4 50 B12R0.234 COCCOCCOCCC(=O)O MCULE-3073877899 [0,0,0,0,0,0|3,0,0]=3 51 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [0,0,0,0,0,0|1,0,1]=2 52 B12R0.234 N#N=NCCCCCCCC(=O)O MCULE-5693417997 [0,0,0,0,0,0|3,0,0]=3 53 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [0,0,0,0,0,0|1,0,0]=1 54 B12R0.234 NCCOCCOCCCC(=O)O MCULE-2525701431 [0,0,0,0,0,0|3,0,0]=3 55 B12R0.234 O=C(O)/C=C/CCCCCCCO MCULE-7936793574 [0,0,0,0,0,0|1,0,2]=3 56 B12R0.234 O=C(O)C=CCCCCCCCO MCULE-6067845776 [0,0,0,0,0,0|1,0,2]=3 57 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [0,0,0,0,0,0|1,0,0]=1 58 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [0,0,0,0,0,0|1,0,0]=1 59 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [0,0,0,0,0,0|1,0,0]=1 60 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [0,0,0,0,0,0|2,0,1]=3 61 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [0,0,0,0,0,0|2,0,1]=3 62 B11R0.3 BrCCCCCCCCCCBr MCULE-6596890795 [1,0,0,0,0,0|2,0,1]=4 63 B11R0.3 C#CCCCCCCCCCBr MCULE-7590250790 [1,0,0,0,0,0|2,0,1]=4 64 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [1,0,0,0,0,0|1,0,1]=3 65 B11R0.3 C#CCCCCCCCCCO MCULE-5387959646 [1,0,0,0,0,0|0,0,3]=4 66 B11R0.3 C=CCCCCCCCCC=C MCULE-6018522624 [1,0,0,0,0,0|1,0,2]=4 67 B11R0.3 C=CCCCCCCCCC=O MCULE-2748563286 [1,0,0,0,0,0|0,0,2]=3 68 B11R0.3 C=CCCCCCCCCCBr MCULE-3292244728 [1,0,0,0,0,0|2,0,0]=3 69 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [1,0,0,0,0,0|1,0,0]=2 70 B11R0.3 C=CCCCCCCCCCCl MCULE-9014492464 [1,0,0,0,0,0|2,0,0]=3 71 B11R0.3 C=CCCCCCCCCCN MCULE-7839357621 [1,0,0,0,0,0|2,0,0]=3 72 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [1,0,0,0,0,0|2,0,0]=3 73 B11R0.3 C=CCOCCCCCCCC MCULE-6446691340 [1,0,0,0,0,0|2,0,0]=3 74 B11R0.3 CC#CCCCCCCCCO MCULE-5846426924 [1,0,0,0,0,0|0,0,3]=4 75 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [1,0,0,0,0,0|0,0,2]=3 76 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [1,0,0,0,0,0|0,0,2]=3 77 B11R0.3 CCCCCCCCC=CCO MCULE-3768375215 [1,0,0,0,0,0|0,0,3]=4 78 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [1,0,0,0,0,0|1,0,1]=3 79 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [1,0,0,0,0,0|0,0,0]=1 80 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [1,0,0,0,0,0|1,0,1]=3 81 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [1,0,0,0,0,0|1,0,1]=3 82 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [1,0,0,0,0,0|1,0,1]=3 83 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [1,0,0,0,0,0|1,0,1]=3 84 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [1,0,0,0,0,0|1,0,1]=3 85 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [1,0,0,0,0,0|0,0,1]=2 86 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [1,0,0,0,0,0|0,1,1]=3 87 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [1,0,0,0,0,0|2,0,0]=3 88 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [1,0,0,0,0,0|2,0,0]=3 89 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [1,0,0,0,0,0|2,0,0]=3 90 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [1,0,0,0,0,0|2,0,0]=3 91 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [1,0,0,0,0,0|2,0,0]=3 92 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [1,0,0,0,0,0|2,0,0]=3 93 B11R0.3 CCCCCCCCCN=C=S MCULE-1076001046 [1,0,0,0,0,0|1,1,1]=4 94 B11R0.3 CCCCCCCCCN=N#N MCULE-3134047425 [1,0,0,0,0,0|3,0,0]=4 95 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [1,0,0,0,0,0|2,0,1]=4 96 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [1,0,0,0,0,0|1,0,0]=2 97 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [1,0,0,0,0,0|2,0,1]=4 98 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [1,0,0,0,0,0|2,0,1]=4 99 B11R0.3 CCCCCCCCNCCN MCULE-7559905889 [1,0,0,0,0,0|2,0,1]=4 100 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [1,0,0,0,0,0|1,0,1]=3 101 B11R0.3 CCCCCCCCOCCCl MCULE-7562352297 [1,0,0,0,0,0|2,0,1]=4 102 B11R0.3 CCCCCCCCOCCN MCULE-8451506183 [1,0,0,0,0,0|2,0,1]=4 103 B11R0.3 CCCCCCCCOCCN MCULE-9814984146 [1,0,0,0,0,0|2,0,1]=4 104 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [1,0,0,0,0,0|1,0,1]=3 105 B11R0.3 CCCCCCCCSCC#N MCULE-7369043498 [1,0,0,0,0,0|2,0,1]=4 106 B11R0.3 CCCCCCCCSCCN MCULE-5010227243 [1,0,0,0,0,0|2,0,1]=4 107 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [1,0,0,0,0,0|1,0,1]=3 108 B11R0.3 CCCCCCCCSCCS MCULE-1947094413 [1,0,0,0,0,0|1,1,1]=4 109 B11R0.3 CCCCCCCNCCC#N MCULE-6001009722 [1,0,0,0,0,0|2,0,1]=4 110 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [1,0,0,0,0,0|2,0,1]=4 111 B11R0.3 CCCCCCCNCCCN MCULE-8536785750 [1,0,0,0,0,0|2,0,1]=4 112 B11R0.3 CCCCCCCNCCCO MCULE-1187615586 [1,0,0,0,0,0|1,0,1]=3 113 B11R0.3 CCCCCCNCCCOC MCULE-6742672078 [1,0,0,0,0,0|3,0,0]=4 114 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-2636909425 [1,0,0,0,0,0|2,0,1]=4 115 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-7512641705 [1,0,0,0,0,0|2,0,1]=4 116 B11R0.3 CCCCCSCCOCCO MCULE-1471152415 [1,0,0,0,0,0|2,0,1]=4 117 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [1,0,0,0,0,0|1,0,1]=3 118 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [1,0,0,0,0,0|3,0,0]=4 119 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [1,0,0,0,0,0|1,0,0]=2 120 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [1,0,0,0,0,0|2,0,1]=4 121 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [1,0,0,0,0,0|2,0,1]=4 122 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [1,0,0,0,0,0|1,0,1]=3 123 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [1,0,0,0,0,0|3,0,0]=4 124 B11R0.3 COCCOCCOCCC=O MCULE-7456622874 [1,0,0,0,0,0|3,0,0]=4 125 B11R0.3 ClCCCCCCCCCCCl MCULE-1936281020 [1,0,0,0,0,0|2,0,1]=4 126 B11R0.3 FCCCCCCCCCCBr MCULE-2498226293 [1,0,0,0,0,0|2,0,1]=4 127 B11R0.3 FCCCCCCCCCCCl MCULE-6086093448 [1,0,0,0,0,0|2,0,1]=4 128 B11R0.3 FCCCCCCCCCCF MCULE-7992467849 [1,0,0,0,0,0|2,0,1]=4 129 B11R0.3 ICCCCCCCCCCI MCULE-9838407052 [1,0,0,0,0,0|2,0,1]=4 130 B11R0.3 NCCCCCCCCCCBr MCULE-2910198089 [1,0,0,0,0,0|2,0,1]=4 131 B11R0.3 NCCCCCCCCCCBr MCULE-9466370190 [1,0,0,0,0,0|2,0,1]=4 132 B11R0.3 NCCCCCCCCCCN MCULE-8635244158 [1,0,0,0,0,0|2,0,1]=4 133 B11R0.3 NCCCCCCCCCCO MCULE-6627355175 [1,0,0,0,0,0|1,0,1]=3 134 B11R0.3 NCCCCCCOCCCO MCULE-2806447363 [1,0,0,0,0,0|2,0,1]=4 135 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [1,0,0,0,0,0|1,0,0]=2 136 B11R0.3 OCCCCCCCCCCBr MCULE-9238949531 [1,0,0,0,0,0|1,0,1]=3 137 B11R0.3 OCCCCCCCCCCCl MCULE-7857761317 [1,0,0,0,0,0|1,0,1]=3 138 B11R0.3 OCCCCCCCCCCF MCULE-6916719760 [1,0,0,0,0,0|1,0,1]=3 139 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [1,0,0,0,0,0|1,0,1]=3 140 B11R0.3 SCCCCCCCCCCS MCULE-7368208629 [1,0,0,0,0,0|1,1,1]=4 141 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [1,0,0,0,0,0|2,0,1]=4 142 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [1,0,0,0,0,0|0,0,2]=3 143 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [1,0,0,0,0,0|2,0,0]=3 144 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [1,0,0,0,0,0|2,0,0]=3 145 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [1,0,0,0,0,0|2,0,0]=3 146 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [1,0,0,0,0,0|0,0,2]=3 147 B11R0.148 C=CCCOCCCCC(=O)O MCULE-6026091154 [1,0,0,0,0,0|1,0,2]=4 148 B11R0.148 C=CCOCCCCCC(=O)O MCULE-9227890338 [1,0,0,0,0,0|1,0,2]=4 149 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [1,0,0,0,0,0|2,0,0]=3 150 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [1,0,0,0,0,0|2,0,1]=4 151 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [1,0,0,0,0,0|0,0,2]=3 152 B11R0.148 CCCCCC/C=C/CC(=O)O MCULE-1834860815 [1,0,0,0,0,0|0,0,2]=3 153 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [1,0,0,0,0,0|0,0,2]=3 154 B11R0.148 CCCCCCC/C=C/C(=O)O MCULE-3189731619 [1,0,0,0,0,0|0,0,2]=3 155 B11R0.148 CCCCCCC/C=C\C(=O)O MCULE-5508964733 [1,0,0,0,0,0|0,0,2]=3 156 B11R0.148 CCCCCCC=CCC(=O)O MCULE-5816262119 [1,0,0,0,0,0|0,0,2]=3 157 B11R0.148 CCCCCCCC=CC(=O)O MCULE-9648702049 [1,0,0,0,0,0|0,0,2]=3 158 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [1,0,0,0,0,0|2,0,0]=3 159 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [1,0,0,0,0,0|2,0,0]=3 160 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [1,0,0,0,0,0|1,0,0]=2 161 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [1,0,0,0,0,0|1,0,0]=2 162 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [1,0,0,0,0,0|1,0,0]=2 163 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [1,0,0,0,0,0|1,0,0]=2 164 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [1,0,0,0,0,0|0,0,0]=1 165 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [1,0,0,0,0,0|0,0,0]=1 166 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [1,0,0,0,0,0|0,0,1]=2 167 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [1,0,0,0,0,0|0,0,1]=2 168 B11R0.148 CCCCCCCCCC(C)C MCULE-1079534714 [1,0,0,0,0,0|2,0,1]=4 169 B11R0.148 CCCCCCCCCC(C)N MCULE-8277808063 [1,0,0,0,0,0|2,0,1]=4 170 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [1,0,0,0,0,0|1,0,1]=3 171 B11R0.148 CCCCCCCCCC(S)S MCULE-7049062381 [1,0,0,0,0,0|0,2,1]=4 172 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [1,0,0,0,0,0|1,0,1]=3 173 B11R0.148 CCCCCCCCN=C(N)N MCULE-8281267777 [1,0,0,0,0,0|3,0,0]=4 174 B11R0.148 CCCCCCCCN=C(N)N MCULE-9658902055 [1,0,0,0,0,0|3,0,0]=4 175 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [1,0,0,0,0,0|2,0,0]=3 176 B11R0.148 CCCCCCCCNC(=S)N MCULE-3981792857 [1,0,0,0,0,0|2,1,0]=4 177 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [1,0,0,0,0,0|2,0,0]=3 178 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [1,0,0,0,0,0|2,0,0]=3 179 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-4226166972 [1,0,0,0,0,0|1,2,0]=4 180 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-7459596444 [1,0,0,0,0,0|1,2,0]=4 181 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [1,0,0,0,0,0|1,0,0]=2 182 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [1,0,0,0,0,0|1,0,0]=2 183 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [1,0,0,0,0,0|1,0,0]=2 184 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [1,0,0,0,0,0|2,0,0]=3 185 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [1,0,0,0,0,0|1,0,0]=2 186 B11R0.148 CCOCCOCCCC(=O)O MCULE-5210306588 [1,0,0,0,0,0|2,0,0]=3 187 B11R0.148 COCCOCCOCC(=O)O MCULE-8142044106 [1,0,0,0,0,0|3,0,0]=4 188 B11R0.148 N#N=NCCCCCCC(=O)O MCULE-5582413457 [1,0,0,0,0,0|3,0,0]=4 189 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [1,0,0,0,0,0|2,0,0]=3 190 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [1,0,0,0,0,0|1,0,0]=2 191 B11R0.148 NCCOCCOCCC(=O)O MCULE-7286284064 [1,0,0,0,0,0|3,0,0]=4 192 B11R0.148 NCCOCCOCCC(=O)O MCULE-8782232340 [1,0,0,0,0,0|3,0,0]=4 193 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [1,0,0,0,0,0|1,0,0]=2 194 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [1,0,0,0,0,0|1,0,0]=2 195 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [1,0,0,0,0,0|1,0,0]=2 196 B11R0.148 O=C(O)CCOCCOCCBr MCULE-3253906029 [1,0,0,0,0,0|3,0,0]=4 197 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [1,0,0,0,0,0|3,0,0]=4 198 B11R0.148 O=C(O)CCOCCOCCS MCULE-1627429574 [1,0,0,0,0,0|3,0,0]=4 199 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [1,0,0,0,0,0|1,0,1]=3 200 B11R0.148 O=N(=O)CCCCCCCCBr MCULE-5806801538 [1,0,0,0,0,0|2,0,1]=4 201 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [1,0,0,0,0,0|2,0,1]=4 202 B13R0.1 CCCCCCC(=O)CCCC(=O)O MCULE-4056750992 [0,1,0,0,0,0|0,0,1]=2 203 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [0,1,0,0,0,0|0,0,0]=1 204 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,1,0,0,0,0|0,0,1]=2 205 B13R0.54 C(=CCCCCOC(=O)C)CCCC MCULE-1642216097 [0,1,0,0,0,0|1,0,2]=4 206 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [0,1,0,0,0,0|2,0,0]=3 207 B13R0.54 C=CCCCCCCCCCC(=C)C MCULE-9813642699 [0,1,0,0,0,0|2,0,1]=4 208 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [0,1,0,0,0,0|1,0,1]=3 209 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [0,1,0,0,0,0|0,0,1]=2 210 B13R0.54 C=CCCCCCCCCCN(=O)=O MCULE-7314787792 [0,1,0,0,0,0|1,0,2]=4 211 B13R0.54 C=CCCCCCCCCOC(=O)C MCULE-3987813819 [0,1,0,0,0,0|1,0,2]=4 212 B13R0.54 CC(C)CCCCCCCCCCO MCULE-3770739954 [0,1,0,0,0,0|2,0,1]=4 213 B13R0.54 CCCC/C=C\CCCCOC(=O)C MCULE-9938541488 [0,1,0,0,0,0|1,0,2]=4 214 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [0,1,0,0,0,0|0,0,1]=2 215 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [0,1,0,0,0,0|0,0,1]=2 216 B13R0.54 CCCCCCCC=CCOC(=O)C MCULE-7547263092 [0,1,0,0,0,0|1,0,2]=4 217 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [0,1,0,0,0,0|0,0,1]=2 218 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [0,1,0,0,0,0|0,0,1]=2 219 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [0,1,0,0,0,0|2,0,0]=3 220 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [0,1,0,0,0,0|1,0,0]=2 221 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [0,1,0,0,0,0|1,0,0]=2 222 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [0,1,0,0,0,0|1,0,0]=2 223 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,1,0,0,0,0|0,0,0]=1 224 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [0,1,0,0,0,0|0,0,1]=2 225 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [0,1,0,0,0,0|0,0,1]=2 226 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [0,1,0,0,0,0|0,0,1]=2 227 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [0,1,0,0,0,0|0,0,1]=2 228 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [0,1,0,0,0,0|2,0,1]=4 229 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [0,1,0,0,0,0|1,0,1]=3 230 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [0,1,0,0,0,0|1,0,1]=3 231 B13R0.54 CCCCCCCCCCCN(C)C MCULE-5478138058 [0,1,0,0,0,0|3,0,0]=4 232 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,1,0,0,0,0|1,0,0]=2 233 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [0,1,0,0,0,0|1,1,0]=3 234 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [0,1,0,0,0,0|1,0,0]=2 235 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [0,1,0,0,0,0|1,0,0]=2 236 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8121799109 [0,1,0,0,0,0|0,2,0]=3 237 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8750716716 [0,1,0,0,0,0|0,2,0]=3 238 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,1,0,0,0,0|0,0,0]=1 239 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [0,1,0,0,0,0|1,0,0]=2 240 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,1,0,0,0,0|0,0,0]=1 241 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [0,1,0,0,0,0|0,0,1]=2 242 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,1,0,0,0,0|0,0,0]=1 243 B13R0.54 CCCCOCCOCCOC(=O)C MCULE-7207932009 [0,1,0,0,0,0|3,0,0]=4 244 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,1,0,0,0,0|0,0,0]=1 245 B13R0.54 COCCOCCOCCCC(=O)O MCULE-5833620933 [0,1,0,0,0,0|2,0,0]=3 246 B13R0.54 N#N=NCCCCCCCCC(=O)O MCULE-9217828089 [0,1,0,0,0,0|2,0,0]=3 247 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [0,1,0,0,0,0|1,0,0]=2 248 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,1,0,0,0,0|0,0,0]=1 249 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [0,1,0,0,0,0|0,0,1]=2 250 B13R0.54 NCCOCCOCCOCC(=O)O MCULE-5118467915 [0,1,0,0,0,0|3,0,0]=4 251 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [0,1,0,0,0,0|1,0,0]=2 252 B13R0.54 O=C(O)CCCCCCC/C=C/CO MCULE-9542952039 [0,1,0,0,0,0|0,0,2]=3 253 B13R0.54 O=C(O)CCCCCCCCC#CBr MCULE-4630465471 [0,1,0,0,0,0|0,0,2]=3 254 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,1,0,0,0,0|0,0,0]=1 255 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,1,0,0,0,0|0,0,0]=1 256 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,1,0,0,0,0|0,0,0]=1 257 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,1,0,0,0,0|0,0,0]=1 258 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,1,0,0,0,0|1,0,0]=2 259 B13R0.54 O=C(O)COCCOCCOCCBr MCULE-1177920971 [0,1,0,0,0,0|3,0,0]=4 260 B13R0.54 O=C(O)COCCOCCOCCCl MCULE-4995186473 [0,1,0,0,0,0|3,0,0]=4 261 B13R0.54 O=C(O)COCCOCCOCCO MCULE-6493597298 [0,1,0,0,0,0|3,0,0]=4 262 B13R0.54 O=N(=O)CCCCCCCCCCBr MCULE-8717758522 [0,1,0,0,0,0|1,0,1]=3 263 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [0,1,0,0,0,0|1,0,1]=3 264 B13R0.88 CCCC(=O)CCCCCCC(=O)O MCULE-7655272143 [0,1,0,0,0,0|0,0,1]=2 265 B13R0.88 CCOC(=O)CCCCCCC(=O)O MCULE-5379886661 [0,1,0,0,0,0|1,0,1]=3 266 B13R0.119 CCCCC(=O)CCCCCC(=O)O MCULE-7182880008 [0,1,0,0,0,0|0,0,1]=2 267 B13R0.147 C#CCCCCCCCCC(=O)NO MCULE-1776052395 [0,1,0,0,0,0|0,0,2]=3 268 B13R0.147 C#CCCCCCCCCC(=O)OC MCULE-3643245325 [0,1,0,0,0,0|0,0,2]=3 269 B13R0.147 C=CC(=O)OCCCCCCCCC MCULE-7661811427 [0,1,0,0,0,0|2,0,0]=3 270 B13R0.147 C=CCCCCCCCCC(=O)NN MCULE-1975489838 [0,1,0,0,0,0|1,0,2]=4 271 B13R0.147 C=CCCCCCCCCC(=O)NO MCULE-4384177401 [0,1,0,0,0,0|0,0,2]=3 272 B13R0.147 C=CCCCCCCCCC(=O)OC MCULE-5551120975 [0,1,0,0,0,0|0,0,2]=3 273 B13R0.147 CCCCCCC/C=C/CC(=O)CC MCULE-1079348180 [0,1,0,0,0,0|1,0,2]=4 274 B13R0.147 CCCCCCCCC#CC(=O)OC MCULE-6573014150 [0,1,0,0,0,0|0,0,2]=3 275 B13R0.147 CCCCCCCCCCC(=N)NO MCULE-8351830126 [0,1,0,0,0,0|1,0,0]=2 276 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [0,1,0,0,0,0|1,0,0]=2 277 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,1,0,0,0,0|0,0,0]=1 278 B13R0.147 CCCCCCCCCCC(Br)CBr MCULE-9794028276 [0,1,0,0,0,0|2,0,1]=4 279 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [0,1,0,0,0,0|1,0,1]=3 280 B13R0.147 CCCCCCCCCCC(C)CO MCULE-5502474074 [0,1,0,0,0,0|1,0,1]=3 281 B13R0.147 CCCCCCCCCCC(Cl)CCl MCULE-2606330649 [0,1,0,0,0,0|2,0,1]=4 282 B13R0.147 CCCCCCCCCCC(O)CN MCULE-5193471557 [0,1,0,0,0,0|1,0,1]=3 283 B13R0.147 CCCCCCCCCCC(O)CO MCULE-2615675340 [0,1,0,0,0,0|0,0,2]=3 284 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-5249425084 [0,1,0,0,0,0|1,0,1]=3 285 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-6389413958 [0,1,0,0,0,0|1,0,1]=3 286 B13R0.147 CCCCCCCCCC[C@@H](O)CO MCULE-6042369532 [0,1,0,0,0,0|0,0,2]=3 287 B13R0.147 CCCCCCCCCC[C@H](O)CO MCULE-1604714068 [0,1,0,0,0,0|0,0,2]=3 288 B13R0.147 CCCCCCCCCNC(=O)CCl MCULE-5058546046 [0,1,0,0,0,0|2,0,0]=3 289 B13R0.147 CCCCCCCCOCC(O)CCl MCULE-3663457425 [0,1,0,0,0,0|2,0,1]=4 290 B13R0.147 CCCCCCCCOCC(O)CO MCULE-3516482068 [0,1,0,0,0,0|1,0,2]=4 291 B13R0.147 CCCCCCCNCCC(=O)NC MCULE-6698644143 [0,1,0,0,0,0|2,0,0]=3 292 B13R0.147 CCCCCCCNCCC(=O)NN MCULE-6182063140 [0,1,0,0,0,0|2,0,0]=3 293 B13R0.147 CCCCCCCNCCC(=O)OC MCULE-4012206227 [0,1,0,0,0,0|1,0,0]=2 294 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [0,1,0,0,0,0|1,0,1]=3 295 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [0,1,0,0,0,0|1,0,0]=2 296 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [0,1,0,0,0,0|1,0,0]=2 297 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [0,1,0,0,0,0|1,0,0]=2 298 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [0,1,0,0,0,0|1,0,0]=2 299 B13R0.147 NCCCCCCCCNC(=O)CBr MCULE-3488452736 [0,1,0,0,0,0|3,0,0]=4 300 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [0,1,0,0,0,0|0,0,0]=1 301 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [0,1,0,0,0,0|0,0,0]=1 302 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [0,1,0,0,0,0|0,0,0]=1 303 B13R0.150 N[C@@H](CCCCNCCCO)C(=O)O MCULE-1769705869 [0,1,0,0,0,0|2,0,0]=3 304 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [0,1,0,0,0,0|0,0,0]=1 305 B13R0.154 CCCCCCCC(=O)CCC(=O)O MCULE-3369465256 [0,1,0,0,0,0|0,0,1]=2 306 B13R0.154 CCCCCCCC(=O)NCC(=O)O MCULE-7832794516 [0,1,0,0,0,0|1,0,1]=3 307 B13R0.154 CCCCCCCC(=O)NCC(=O)[O-] MCULE-9063422320 [0,1,0,0,0,0|1,0,2]=4 308 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-5105119706 [0,1,0,0,0,0|0,0,1]=2 309 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-6637797878 [0,1,0,0,0,0|0,0,1]=2 310 B13R0.154 CCCCCCNC(=O)CCC(=O)O MCULE-4928328474 [0,1,0,0,0,0|1,0,1]=3 311 B13R0.154 COCCOCCN(C)CCC(=O)O MCULE-3096641479 [0,1,0,0,0,0|3,0,0]=4 312 B13R0.154 COCCOCCN(C)CCC(=O)O MCULE-3437999892 [0,1,0,0,0,0|3,0,0]=4 313 B13R0.179 CC(=O)CCCCCCCCC(=O)C MCULE-9381321030 [0,1,0,0,0,0|1,0,1]=3 314 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [0,1,0,0,0,0|0,0,1]=2 315 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [0,1,0,0,0,0|0,0,0]=1 316 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [0,1,0,0,0,0|0,0,0]=1 317 B13R0.179 CC(O)CCCC/C=C/CCC(=O)O MCULE-4184050410 [0,1,0,0,0,0|0,0,2]=3 318 B13R0.179 NC(=O)CCCCCCCCC(=O)N MCULE-4459267910 [0,1,0,0,0,0|2,0,1]=4 319 B13R0.179 NC(=O)CCCCCCCCC(=O)O MCULE-3812988206 [0,1,0,0,0,0|1,0,1]=3 320 B13R0.179 NC(=O)CCCCCCCCC(=O)[O-] MCULE-9835231552 [0,1,0,0,0,0|1,0,2]=4 321 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl MCULE-1861027504 [0,1,0,0,0,0|2,0,1]=4 322 B13R0.179 O=C(O)CCCCCCCCC(=O)O MCULE-3460494679 [0,1,0,0,0,0|1,0,1]=3 323 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-6225615294 [0,1,0,0,0,0|1,0,2]=4 324 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-8793407892 [0,1,0,0,0,0|1,0,2]=4 325 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-9026337383 [0,1,0,0,0,0|1,0,2]=4 326 B13R0.188 CCCCCC(=O)CCCCC(=O)O MCULE-9827668199 [0,1,0,0,0,0|0,0,1]=2 327 B13R0.188 O=C(O)CCCCC(=O)NCCCO MCULE-9184410961 [0,1,0,0,0,0|2,0,1]=4 328 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [0,1,0,0,0,0|0,0,0]=1 329 B13R0.202 COC(=O)CCCCCCCC(=O)O MCULE-2825137842 [0,1,0,0,0,0|1,0,1]=3 330 B13R0.280 CCCCCCCCCCP(=O)(C)C MCULE-7993897252 [0,1,0,0,0,0|2,0,0]=3 331 B13R0.280 CCCCCCCCCCP(=O)(O)O MCULE-1652235001 [0,1,0,0,0,0|1,0,0]=2 332 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl MCULE-6241290151 [0,1,0,0,0,0|1,0,1]=3 333 B13R0.280 CCCCCCCCCCS(=O)(=O)N MCULE-9253411450 [0,1,0,0,0,0|1,0,1]=3 334 B13R0.280 CCCCCCCCCCS(=O)(=O)O MCULE-1242262217 [0,1,0,0,0,0|1,0,0]=2 335 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] MCULE-7783749388 [0,1,0,0,0,0|1,0,1]=3 336 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-3384760582 [0,1,0,0,0,0|3,0,0]=4 337 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-7441976704 [0,1,0,0,0,0|3,0,0]=4 338 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-9457271107 [0,1,0,0,0,0|3,0,0]=4 339 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] MCULE-9878706939 [0,1,0,0,0,0|2,0,1]=4 340 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl MCULE-6793568340 [0,1,0,0,0,0|2,1,0]=4 341 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl MCULE-9569407905 [0,1,0,0,0,0|2,1,0]=4 342 B13R0.280 CCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-2592527518 [0,1,0,0,0,0|2,1,0]=4 343 B13R0.335 C=C(C)CC(C)CCCCCCCC MCULE-5619106321 [0,1,0,0,0,0|2,0,0]=3 344 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [0,1,0,0,0,0|1,0,0]=2 345 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [0,1,0,0,0,0|1,0,0]=2 346 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [0,1,0,0,0,0|0,0,0]=1 347 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [0,1,0,0,0,0|0,0,0]=1 348 B13R0.335 CCCCCCCOC(=O)CC(=O)C MCULE-3029543829 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [0,0,0,1,0,0|0,0,0]=1 350 B13R1.6 CCCCCCC1OCCC(O1)C MCULE-4340463593 [0,0,0,1,0,0|2,0,1]=4 351 B13R1.6 N#CCCCCC1CCCC(=O)C1 MCULE-6540271443 [0,0,0,1,0,0|2,0,1]=4 352 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [0,0,0,1,0,0|0,0,0]=1 353 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [0,0,0,1,0,0|0,0,0]=1 354 B13R1.90 CCC1CCCCC1OCC(=O)O MCULE-4174544329 [0,0,0,1,0,0|1,0,0]=2 355 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-7797119414 [0,0,0,1,0,0|1,0,0]=2 356 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-8806588553 [0,0,0,1,0,0|1,0,0]=2 357 B13R1.90 COC1CCCCC1NCC(=O)N MCULE-8300149781 [0,0,0,1,0,0|3,0,0]=4 358 B13R1.90 COC1CCCCC1NCC(=O)O MCULE-8478049629 [0,0,0,1,0,0|2,0,0]=3 359 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-2658022342 [0,0,0,1,0,0|1,0,0]=2 360 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-3288150889 [0,0,0,1,0,0|1,0,0]=2 361 B13R1.158 CN1CCCCC1CNCC(=O)O MCULE-2171668896 [0,0,0,1,0,0|2,0,0]=3 362 B13R1.158 CN1CCCCC1COCC(=O)O MCULE-3673631668 [0,0,0,1,0,0|2,0,0]=3 363 B13R1.158 O=C(O)CCCN1CCCCC1=O MCULE-9681527343 [0,0,0,1,0,0|2,0,1]=4 364 B13R1.167 O=C(O)CCCCN1CCCC1=O MCULE-9177878757 [0,0,0,1,0,0|2,0,1]=4 365 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [0,0,0,1,0,0|2,0,0]=3 366 B13R1.279 NC1CCCCCCCCCCC1 MCULE-2290888255 [0,0,0,1,0,0|2,0,1]=4 367 B13R1.279 NC1CCCCCCCCCCC1 MCULE-4286699290 [0,0,0,1,0,0|2,0,1]=4 368 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [0,0,0,1,0,0|1,0,0]=2 369 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [0,0,0,1,0,0|1,0,0]=2 370 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,0,0,1,0,0|0,0,0]=1 371 B13R1.279 OC1CCCCCCCCCCC1 MCULE-4246723921 [0,0,0,1,0,0|1,0,1]=3 372 B13R1.279 SC1CCCCCCCCCCC1 MCULE-1071128546 [0,0,0,1,0,0|1,1,1]=4 373 B13R1.280 O=C(O)CCN1CCCCCC1=O MCULE-5062326708 [0,0,0,1,0,0|2,0,1]=4 374 B13R1.283 O=C(O)CN1CCCCCCC1=O MCULE-5316467172 [0,0,0,1,0,0|2,0,1]=4 375 B13R1.337 C=C(C)CCCCC1CCCCC1 MCULE-8165088148 [0,0,0,1,0,0|2,0,0]=3 376 B13R1.337 CC(=O)OCCCC1CCCCN1 MCULE-1444724209 [0,0,0,1,0,0|3,0,0]=4 377 B13R1.337 CC(=O)OCCCC1CCCCN1 MCULE-4206471088 [0,0,0,1,0,0|3,0,0]=4 378 B13R1.337 CC(=O)OCCCC1CCCNC1 MCULE-4591243184 [0,0,0,1,0,0|3,0,0]=4 379 B13R1.337 CC(=O)OCCCC1CCCNC1 MCULE-7140721019 [0,0,0,1,0,0|3,0,0]=4 380 B13R1.337 CC(=O)OCCCC1CCNCC1 MCULE-2323487501 [0,0,0,1,0,0|3,0,0]=4 381 B13R1.337 CC(=O)OCCCC1CCNCC1 MCULE-4105549584 [0,0,0,1,0,0|3,0,0]=4 382 B13R1.337 CC(=O)OCCCN1CCCCC1 MCULE-7448871413 [0,0,0,1,0,0|3,0,0]=4 383 B13R1.337 CC(=O)OCCCN1CCCCC1 MCULE-7777165052 [0,0,0,1,0,0|3,0,0]=4 384 B13R1.337 NC(=O)CNCCC1CCCCC1 MCULE-1811204198 [0,0,0,1,0,0|2,0,0]=3 385 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [0,0,0,1,0,0|0,0,0]=1 386 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [0,0,0,1,0,0|1,0,0]=2 387 B13R1.337 O=C(O)CCCCC1CCSSS1 MCULE-5897273262 [0,0,0,1,0,0|3,0,0]=4 388 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-1700384136 [0,0,0,1,0,0|1,0,0]=2 389 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-3436222840 [0,0,0,1,0,0|1,0,0]=2 390 B13R1.337 O=C(O)CCCCN1CCOCC1 MCULE-2036644380 [0,0,0,1,0,0|2,0,0]=3 391 B13R1.337 O=C(O)CCCCN1CCOCC1 MCULE-4425234754 [0,0,0,1,0,0|2,0,0]=3 392 B13R1.337 O=C(O)CCCOC1CCCCO1 MCULE-8336941826 [0,0,0,1,0,0|2,0,0]=3 393 B13R1.337 O=C(O)CCCOC1CCOCC1 MCULE-9068336054 [0,0,0,1,0,0|2,0,0]=3 394 B13R1.337 O=C(O)CCCSC1CCCCC1 MCULE-1908047550 [0,0,0,1,0,0|1,0,0]=2 395 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-3522959414 [0,0,0,1,0,0|1,0,0]=2 396 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-9583021057 [0,0,0,1,0,0|1,0,0]=2 397 B13R1.337 O=C(O)CCOCC1CCCCC1 MCULE-1183191547 [0,0,0,1,0,0|1,0,0]=2 398 B13R1.337 O=C(O)CCSCC1CCCCC1 MCULE-3460268969 [0,0,0,1,0,0|1,0,0]=2 399 B13R1.337 O=C(O)COCCN1CCNCC1 MCULE-4314449701 [0,0,0,1,0,0|3,0,0]=4 400 B13R1.380 CCNC1CCCCC1NC(=O)C MCULE-2777817007 [0,0,0,1,0,0|3,0,0]=4 401 B13R1.380 CCOC1COCCC1CC(=O)O MCULE-7139932596 [0,0,0,1,0,0|2,0,0]=3 402 B13R1.380 COCC1CCCCN1CC(=O)O MCULE-9363416940 [0,0,0,1,0,0|2,0,0]=3 403 B13R1.392 CCCC1SCCN1CCC(=O)N MCULE-6907563146 [0,0,0,1,0,0|3,0,0]=4 404 B13R1.572 CCNCC1CCCCN1C(=O)C MCULE-9510324212 [0,0,0,1,0,0|3,0,0]=4 405 B13R1.610 CCC1CCCCCC1NC(=O)C MCULE-1382386726 [0,0,0,1,0,0|2,0,0]=3 406 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [0,0,0,1,0,0|1,0,1]=3 407 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [0,0,0,1,0,0|1,0,1]=3 408 B13R1.659 CCCCCCCCOCC1CO1 MCULE-8564069898 [0,0,0,1,0,0|2,0,1]=4 409 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-3702984614 [0,0,0,1,0,0|1,0,0]=2 410 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-4571415668 [0,0,0,1,0,0|1,0,0]=2 411 B13R1.1022 O=C(O)COC1C#CCCCCC1 MCULE-9286758727 [0,0,0,1,0,0|1,0,2]=4 412 B13R1.1988 C=C(C)CCCC1CCCCCC1 MCULE-6488235518 [0,0,0,1,0,0|2,0,0]=3 413 B13R1.1988 O=C(O)/C=C/CN1CCCCCC1 MCULE-8860812117 [0,0,0,1,0,0|1,0,2]=4 414 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-5500239831 [0,0,0,1,0,0|1,0,0]=2 415 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-9998662967 [0,0,0,1,0,0|1,0,0]=2 416 B13R1.1988 O=C(O)CCNC1=NCCCCC1 MCULE-9127655169 [0,0,0,1,0,0|2,0,1]=4 417 B13R1.1988 O=C(O)CON=C1CCCCCC1 MCULE-4174439671 [0,0,0,1,0,0|2,0,1]=4 418 B10R0.71 BrCCCCCCCCCBr MCULE-3406292941 [2,0,0,0,0,0|2,0,0]=4 419 B10R0.71 C#CCCCCCCCCC MCULE-3352869074 [2,0,0,0,0,0|0,0,2]=4 420 B10R0.71 C#CCCCCCCCCO MCULE-1465013673 [2,0,0,0,0,0|0,0,2]=4 421 B10R0.71 C(=CCCCCO)CCCC MCULE-5192933185 [2,0,0,0,0,0|0,0,2]=4 422 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [2,0,0,0,0,0|0,0,2]=4 423 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [2,0,0,0,0,0|1,0,1]=4 424 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [2,0,0,0,0,0|0,0,1]=3 425 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [2,0,0,0,0,0|1,0,1]=4 426 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [2,0,0,0,0,0|1,0,1]=4 427 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [2,0,0,0,0,0|1,0,1]=4 428 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [2,0,0,0,0,0|0,0,2]=4 429 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [2,0,0,0,0,0|1,0,1]=4 430 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [2,0,0,0,0,0|1,0,1]=4 431 B10R0.71 CCCC/C=C/CCCCO MCULE-8537897542 [2,0,0,0,0,0|0,0,2]=4 432 B10R0.71 CCCC/C=C\CCCCO MCULE-8382129018 [2,0,0,0,0,0|0,0,2]=4 433 B10R0.71 CCCCC#CCCCCO MCULE-2516123124 [2,0,0,0,0,0|0,0,2]=4 434 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [2,0,0,0,0,0|0,0,2]=4 435 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [2,0,0,0,0,0|0,0,2]=4 436 B10R0.71 CCCCC/C=C\CCCO MCULE-5673742797 [2,0,0,0,0,0|0,0,2]=4 437 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [2,0,0,0,0,0|0,0,2]=4 438 B10R0.71 CCCCCC=CCCCO MCULE-4774794120 [2,0,0,0,0,0|0,0,2]=4 439 B10R0.71 CCCCCCC#CCCO MCULE-5377358049 [2,0,0,0,0,0|0,0,2]=4 440 B10R0.71 CCCCCCC=CCCO MCULE-7637000822 [2,0,0,0,0,0|0,0,2]=4 441 B10R0.71 CCCCCCCC#CCO MCULE-4211819006 [2,0,0,0,0,0|0,0,2]=4 442 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [2,0,0,0,0,0|0,0,2]=4 443 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [2,0,0,0,0,0|0,0,2]=4 444 B10R0.71 CCCCCCCCC#CO MCULE-7543737628 [2,0,0,0,0,0|0,0,2]=4 445 B10R0.71 CCCCCCCCCC#N MCULE-1090480870 [2,0,0,0,0,0|1,0,1]=4 446 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [2,0,0,0,0,0|0,0,0]=2 447 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [2,0,0,0,0,0|1,0,0]=3 448 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [2,0,0,0,0,0|0,0,1]=3 449 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [2,0,0,0,0,0|1,0,0]=3 450 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [2,0,0,0,0,0|1,0,0]=3 451 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [2,0,0,0,0,0|1,0,0]=3 452 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [2,0,0,0,0,0|1,0,0]=3 453 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [2,0,0,0,0,0|0,0,0]=2 454 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [2,0,0,0,0,0|0,1,0]=3 455 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [2,0,0,0,0,0|1,0,1]=4 456 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [2,0,0,0,0,0|1,0,1]=4 457 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [2,0,0,0,0,0|1,0,1]=4 458 B10R0.71 CCCCCCCCCON MCULE-2563186433 [2,0,0,0,0,0|2,0,0]=4 459 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [2,0,0,0,0,0|1,0,1]=4 460 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [2,0,0,0,0,0|1,0,1]=4 461 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [2,0,0,0,0,0|1,0,0]=3 462 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [2,0,0,0,0,0|1,0,0]=3 463 B10R0.71 CCCCCCCCOCC MCULE-7803614357 [2,0,0,0,0,0|1,0,1]=4 464 B10R0.71 CCCCCCCCOCCl MCULE-8103995676 [2,0,0,0,0,0|2,0,0]=4 465 B10R0.71 CCCCCCCOCCCl MCULE-9608529645 [2,0,0,0,0,0|2,0,0]=4 466 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [2,0,0,0,0,0|1,0,0]=3 467 B10R0.71 CCCCCCCOCCS MCULE-8215096371 [2,0,0,0,0,0|1,1,0]=4 468 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [2,0,0,0,0,0|1,0,0]=3 469 B10R0.71 CCCCCCNCCCC MCULE-1698769182 [2,0,0,0,0,0|1,0,1]=4 470 B10R0.71 CCCCCCNCCCCl MCULE-2065775862 [2,0,0,0,0,0|2,0,0]=4 471 B10R0.71 CCCCCCNCCCN MCULE-7482733368 [2,0,0,0,0,0|2,0,0]=4 472 B10R0.71 CCCCCC[NH2+]CCCCl MCULE-1476963531 [2,0,0,0,0,0|2,0,0]=4 473 B10R0.71 CCCCCNCCCCC MCULE-6460289904 [2,0,0,0,0,0|1,0,1]=4 474 B10R0.71 CCCCCNCCCCC MCULE-7466612345 [2,0,0,0,0,0|1,0,1]=4 475 B10R0.71 CCCCCOCCCCC MCULE-2510849143 [2,0,0,0,0,0|1,0,1]=4 476 B10R0.71 CCCCCSCCCCC MCULE-3839664161 [2,0,0,0,0,0|1,0,1]=4 477 B10R0.71 CCCCNCCOCCO MCULE-6722908845 [2,0,0,0,0,0|2,0,0]=4 478 B10R0.71 CCCCOCCOCCO MCULE-9776383171 [2,0,0,0,0,0|2,0,0]=4 479 B10R0.71 CCCCOCCSCCO MCULE-1950831912 [2,0,0,0,0,0|2,0,0]=4 480 B10R0.71 CCCCSCCOCCO MCULE-8485842279 [2,0,0,0,0,0|2,0,0]=4 481 B10R0.71 CCNCCCNCCCO MCULE-4185964299 [2,0,0,0,0,0|2,0,0]=4 482 B10R0.71 COCCCCCCCCO MCULE-1529283698 [2,0,0,0,0,0|1,0,0]=3 483 B10R0.71 ClCCCCCCCCCCl MCULE-3488427873 [2,0,0,0,0,0|2,0,0]=4 484 B10R0.71 NCCCCCCCCCN MCULE-8114252394 [2,0,0,0,0,0|2,0,0]=4 485 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [2,0,0,0,0,0|1,0,0]=3 486 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [2,0,0,0,0,0|1,0,0]=3 487 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [2,0,0,0,0,0|1,0,0]=3 488 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [2,0,0,0,0,0|1,0,0]=3 489 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [2,0,0,0,0,0|1,0,0]=3 490 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [2,0,0,0,0,0|1,0,0]=3 491 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [2,0,0,0,0,0|1,0,0]=3 492 B10R0.71 OCCCCCCOCCO MCULE-5642986797 [2,0,0,0,0,0|2,0,0]=4 493 B10R0.71 OCCCCNCCCCO MCULE-8546417896 [2,0,0,0,0,0|2,0,0]=4 494 B10R0.71 OCCCCOCCCCO MCULE-7966192236 [2,0,0,0,0,0|2,0,0]=4 495 B10R0.71 OCCOCCCCCCCl MCULE-3240737723 [2,0,0,0,0,0|2,0,0]=4 496 B10R0.71 SCCCCCCCCCS MCULE-1712418590 [2,0,0,0,0,0|1,1,0]=4 497 B10R0.71 [NH2+](CCCC)CCCCCC MCULE-8926764515 [2,0,0,0,0,0|1,0,1]=4 498 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [2,0,0,0,0,0|0,0,2]=4 499 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [2,0,0,0,0,0|0,0,2]=4 500 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [2,0,0,0,0,0|2,0,0]=4 501 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [2,0,0,0,0,0|2,0,0]=4 502 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [2,0,0,0,0,0|2,0,0]=4 503 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [2,0,0,0,0,0|0,0,2]=4 504 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [2,0,0,0,0,0|2,0,0]=4 505 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [2,0,0,0,0,0|0,0,2]=4 506 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [2,0,0,0,0,0|0,0,2]=4 507 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [2,0,0,0,0,0|0,0,2]=4 508 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [2,0,0,0,0,0|1,0,1]=4 509 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [2,0,0,0,0,0|2,0,0]=4 510 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [2,0,0,0,0,0|1,0,0]=3 511 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [2,0,0,0,0,0|1,0,0]=3 512 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [2,0,0,0,0,0|1,0,0]=3 513 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [2,0,0,0,0,0|0,0,0]=2 514 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [2,0,0,0,0,0|0,0,1]=3 515 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [2,0,0,0,0,0|1,0,1]=4 516 B10R0.4 CCCCCCCCN(=O)=O MCULE-2507397154 [2,0,0,0,0,0|1,0,1]=4 517 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [2,0,0,0,0,0|1,0,1]=4 518 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [2,0,0,0,0,0|1,0,1]=4 519 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [2,0,0,0,0,0|2,0,0]=4 520 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [2,0,0,0,0,0|2,0,0]=4 521 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [2,0,0,0,0,0|2,0,0]=4 522 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [2,0,0,0,0,0|1,0,0]=3 523 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [2,0,0,0,0,0|1,0,0]=3 524 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [2,0,0,0,0,0|1,0,0]=3 525 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [2,0,0,0,0,0|1,0,0]=3 526 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [2,0,0,0,0,0|1,0,0]=3 527 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [2,0,0,0,0,0|2,0,0]=4 528 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [2,0,0,0,0,0|2,0,0]=4 529 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [2,0,0,0,0,0|1,0,0]=3 530 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [2,0,0,0,0,0|2,0,0]=4 531 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [2,0,0,0,0,0|1,0,0]=3 532 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [2,0,0,0,0,0|1,0,0]=3 533 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [2,0,0,0,0,0|2,0,0]=4 534 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [2,0,0,0,0,0|2,0,0]=4 535 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [2,0,0,0,0,0|2,0,0]=4 536 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [2,0,0,0,0,0|2,0,0]=4 537 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [2,0,0,0,0,0|1,0,0]=3 538 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [2,0,0,0,0,0|1,0,0]=3 539 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [2,0,0,0,0,0|1,0,0]=3 540 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [2,0,0,0,0,0|1,0,1]=4 541 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [2,0,0,0,0,0|1,0,1]=4 542 B12R0.1 C=CCC(C)CCCCCCCC MCULE-8322698729 [1,1,0,0,0,0|1,0,0]=3 543 B12R0.1 CCCCCCCCC(C)CCC MCULE-8337776414 [1,1,0,0,0,0|1,0,1]=4 544 B12R0.1 CCCCCCCCC(O)CCC MCULE-4193341089 [1,1,0,0,0,0|1,0,1]=4 545 B12R0.1 CCCCCCCCS(=O)CCO MCULE-7963242650 [1,1,0,0,0,0|1,0,1]=4 546 B12R0.5 BrCCCCCCCCCCCBr MCULE-7714737833 [1,1,0,0,0,0|1,0,1]=4 547 B12R0.5 C#CCCCCCCCCCCC MCULE-4966581415 [1,1,0,0,0,0|1,0,1]=4 548 B12R0.5 C#CCCCCCCCCCCO MCULE-3338769733 [1,1,0,0,0,0|0,0,2]=4 549 B12R0.5 C=CCCCCCCCCCC#N MCULE-4908683971 [1,1,0,0,0,0|1,0,1]=4 550 B12R0.5 C=CCCCCCCCCCC=C MCULE-6862008178 [1,1,0,0,0,0|1,0,1]=4 551 B12R0.5 C=CCCCCCCCCCC=O MCULE-4798960934 [1,1,0,0,0,0|0,0,1]=3 552 B12R0.5 C=CCCCCCCCCCCBr MCULE-1450832602 [1,1,0,0,0,0|1,0,0]=3 553 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [1,1,0,0,0,0|1,0,0]=3 554 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [1,1,0,0,0,0|1,0,0]=3 555 B12R0.5 C=CCOCCCCCCCCO MCULE-5655873802 [1,1,0,0,0,0|2,0,0]=4 556 B12R0.5 C=COCCCCCCCCCC MCULE-9853638067 [1,1,0,0,0,0|1,0,0]=3 557 B12R0.5 C=CSCCCCCCCCCC MCULE-4125685210 [1,1,0,0,0,0|1,0,0]=3 558 B12R0.5 CC/C=C\CCCCCCCCO MCULE-3025560116 [1,1,0,0,0,0|0,0,2]=4 559 B12R0.5 CCC#CCCCCCCCCO MCULE-9432389600 [1,1,0,0,0,0|0,0,2]=4 560 B12R0.5 CCC/C=C\CCCCCCCO MCULE-1596799446 [1,1,0,0,0,0|0,0,2]=4 561 B12R0.5 CCC=CCCCCCCCCO MCULE-1639369196 [1,1,0,0,0,0|0,0,2]=4 562 B12R0.5 CCCC/C=C/CCCCCCO MCULE-1140179766 [1,1,0,0,0,0|0,0,2]=4 563 B12R0.5 CCCC/C=C\CCCCCCO MCULE-5650770931 [1,1,0,0,0,0|0,0,2]=4 564 B12R0.5 CCCC=CCCCCCCCO MCULE-6437929263 [1,1,0,0,0,0|0,0,2]=4 565 B12R0.5 CCCCC#CCCCCCCO MCULE-8221472970 [1,1,0,0,0,0|0,0,2]=4 566 B12R0.5 CCCCC=CCCCCCCO MCULE-6634191602 [1,1,0,0,0,0|0,0,2]=4 567 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [1,1,0,0,0,0|0,0,1]=3 568 B12R0.5 CCCCCCCCC/C=C/CO MCULE-8437286382 [1,1,0,0,0,0|0,0,1]=3 569 B12R0.5 CCCCCCCCC=CCCO MCULE-1965044026 [1,1,0,0,0,0|0,0,2]=4 570 B12R0.5 CCCCCCCCCC#CCO MCULE-3667812839 [1,1,0,0,0,0|0,0,2]=4 571 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [1,1,0,0,0,0|1,0,0]=3 572 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [1,1,0,0,0,0|0,0,1]=3 573 B12R0.5 CCCCCCCCCC=CCO MCULE-9263380318 [1,1,0,0,0,0|0,0,1]=3 574 B12R0.5 CCCCCCCCCCCC#N MCULE-4898299264 [1,1,0,0,0,0|1,0,1]=4 575 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [1,1,0,0,0,0|0,0,0]=2 576 B12R0.5 CCCCCCCCCCCCBr MCULE-2442495006 [1,1,0,0,0,0|1,0,1]=4 577 B12R0.5 CCCCCCCCCCCCC MCULE-7749861366 [1,1,0,0,0,0|1,0,1]=4 578 B12R0.5 CCCCCCCCCCCCCl MCULE-6025385532 [1,1,0,0,0,0|1,0,1]=4 579 B12R0.5 CCCCCCCCCCCCF MCULE-3563531940 [1,1,0,0,0,0|1,0,1]=4 580 B12R0.5 CCCCCCCCCCCCI MCULE-6449418786 [1,1,0,0,0,0|1,0,1]=4 581 B12R0.5 CCCCCCCCCCCCN MCULE-1282419209 [1,1,0,0,0,0|1,0,1]=4 582 B12R0.5 CCCCCCCCCCCCN MCULE-1312431857 [1,1,0,0,0,0|1,0,1]=4 583 B12R0.5 CCCCCCCCCCCCN MCULE-3936839656 [1,1,0,0,0,0|1,0,1]=4 584 B12R0.5 CCCCCCCCCCCCN MCULE-8497998841 [1,1,0,0,0,0|1,0,1]=4 585 B12R0.5 CCCCCCCCCCCCN MCULE-9101484482 [1,1,0,0,0,0|1,0,1]=4 586 B12R0.5 CCCCCCCCCCCCO MCULE-3423087499 [1,1,0,0,0,0|0,0,1]=3 587 B12R0.5 CCCCCCCCCCCCO MCULE-9381688904 [1,1,0,0,0,0|0,0,1]=3 588 B12R0.5 CCCCCCCCCCCCS MCULE-8388213802 [1,1,0,0,0,0|0,1,1]=4 589 B12R0.5 CCCCCCCCCCCNC MCULE-4232799137 [1,1,0,0,0,0|1,0,1]=4 590 B12R0.5 CCCCCCCCCCCNC MCULE-9324463288 [1,1,0,0,0,0|1,0,1]=4 591 B12R0.5 CCCCCCCCCCN=C=S MCULE-4799395674 [1,1,0,0,0,0|0,1,1]=4 592 B12R0.5 CCCCCCCCCCN=N#N MCULE-3752897707 [1,1,0,0,0,0|2,0,0]=4 593 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [1,1,0,0,0,0|0,0,0]=2 594 B12R0.5 CCCCCCCCCCSC#N MCULE-1909270846 [1,1,0,0,0,0|1,0,1]=4 595 B12R0.5 CCCCCCCCCCSCC MCULE-4046728399 [1,1,0,0,0,0|1,0,1]=4 596 B12R0.5 CCCCCCCCCSCCO MCULE-1890346670 [1,1,0,0,0,0|0,0,1]=3 597 B12R0.5 CCCCCCCCNCCC#N MCULE-1909140913 [1,1,0,0,0,0|1,0,1]=4 598 B12R0.5 CCCCCCCCNCCCC MCULE-6370859761 [1,1,0,0,0,0|1,0,1]=4 599 B12R0.5 CCCCCCCCNCCCN MCULE-1576630780 [1,1,0,0,0,0|1,0,1]=4 600 B12R0.5 CCCCCCCCNCCOC MCULE-9794668613 [1,1,0,0,0,0|1,0,1]=4 601 B12R0.5 CCCCCCCCOCCCN MCULE-3428959730 [1,1,0,0,0,0|1,0,1]=4 602 B12R0.5 CCCCCCCCOCCNC MCULE-3720493532 [1,1,0,0,0,0|2,0,0]=4 603 B12R0.5 CCCCCCCCOCCNC MCULE-6027502699 [1,1,0,0,0,0|2,0,0]=4 604 B12R0.5 CCCCCCCCSCCNC MCULE-1591454214 [1,1,0,0,0,0|2,0,0]=4 605 B12R0.5 CCCCCCCCSCCNC MCULE-9041733565 [1,1,0,0,0,0|2,0,0]=4 606 B12R0.5 CCCCCCCNCCCNC MCULE-3143160534 [1,1,0,0,0,0|2,0,0]=4 607 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [1,1,0,0,0,0|0,0,0]=2 608 B12R0.5 CCCCCCCOCCCCO MCULE-4232162406 [1,1,0,0,0,0|0,0,1]=3 609 B12R0.5 CCCCCCNCCCCCC MCULE-3670409724 [1,1,0,0,0,0|1,0,1]=4 610 B12R0.5 CCCCCCNCCCCCC MCULE-4867029659 [1,1,0,0,0,0|1,0,1]=4 611 B12R0.5 CCCCCCNCCCCCC MCULE-9932038203 [1,1,0,0,0,0|1,0,1]=4 612 B12R0.5 CCCCCCOCCCCCC MCULE-3976538682 [1,1,0,0,0,0|1,0,1]=4 613 B12R0.5 CCCCCCOCCOCCO MCULE-8195636539 [1,1,0,0,0,0|1,0,1]=4 614 B12R0.5 CCCCCCSCCCCCC MCULE-2928486782 [1,1,0,0,0,0|1,0,1]=4 615 B12R0.5 CCCCCCSCCOCCO MCULE-3415483366 [1,1,0,0,0,0|1,0,1]=4 616 B12R0.5 CCCOCCCCCCCCO MCULE-6159515912 [1,1,0,0,0,0|0,0,1]=3 617 B12R0.5 CCOCCCCCCCCCBr MCULE-4453801533 [1,1,0,0,0,0|1,0,1]=4 618 B12R0.5 CCOCCCCCCCCCO MCULE-6343777651 [1,1,0,0,0,0|0,0,1]=3 619 B12R0.5 ICCCCCCCCCCCI MCULE-1394798562 [1,1,0,0,0,0|1,0,1]=4 620 B12R0.5 NCCCCCCCCCCCN MCULE-2996124008 [1,1,0,0,0,0|1,0,1]=4 621 B12R0.5 NCCCCCCCCCCCO MCULE-5135515993 [1,1,0,0,0,0|0,0,1]=3 622 B12R0.5 NCCCCCCCCCCCS MCULE-2278372977 [1,1,0,0,0,0|0,1,1]=4 623 B12R0.5 NCCCCCCCCCCCS MCULE-7023358275 [1,1,0,0,0,0|0,1,1]=4 624 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [1,1,0,0,0,0|0,0,0]=2 625 B12R0.5 OCCCCCCCCCCCBr MCULE-5881088914 [1,1,0,0,0,0|0,0,1]=3 626 B12R0.5 OCCCCCCCCCCCO MCULE-6987509130 [1,1,0,0,0,0|0,0,1]=3 627 B12R0.5 OCCCCCCCCCCCS MCULE-4791107478 [1,1,0,0,0,0|0,0,1]=3 628 B12R0.5 OCCCCCOCCCCCO MCULE-5243842214 [1,1,0,0,0,0|1,0,1]=4 629 B12R0.5 OCCCCCSCCCCCO MCULE-3316565485 [1,1,0,0,0,0|1,0,1]=4 630 B12R0.5 SCCCCCCCCCCCBr MCULE-7291453493 [1,1,0,0,0,0|0,1,1]=4 631 B12R0.5 [NH2+](CCCC)CCCCCCCC MCULE-9696707679 [1,1,0,0,0,0|1,0,1]=4 632 B12R0.47 CCCCCCC(O)CCCCC MCULE-9826172328 [1,1,0,0,0,0|1,0,1]=4 633 B12R0.206 CCCCCCCC(O)CCCC MCULE-7645297712 [1,1,0,0,0,0|1,0,1]=4 634 B12R0.248 CCCCCCCCC/C(=N\O)/N MCULE-5582103663 [1,1,0,0,0,0|1,0,1]=4 635 B12R0.248 CCCCCCCCCC(=O)NO MCULE-3922115888 [1,1,0,0,0,0|1,0,1]=4 636 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [1,1,0,0,0,0|0,0,0]=2 637 B12R0.248 CCCCCCCCCC(O)CC MCULE-8088841540 [1,1,0,0,0,0|1,0,1]=4 638 B12R0.248 CCCCCCCCCC(O)CO MCULE-3958170897 [1,1,0,0,0,0|0,0,1]=3 639 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-4329139225 [1,1,0,0,0,0|0,0,1]=3 640 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-6424120612 [1,1,0,0,0,0|0,0,1]=3 641 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [1,1,0,0,0,0|1,0,1]=4 642 B12R0.248 OCCCCCCCCC(O)CO MCULE-5399962147 [1,1,0,0,0,0|1,0,1]=4 643 B12R0.4 C=C(C)CC(C)CCCCCCC MCULE-8010438575 [1,1,0,0,0,0|2,0,0]=4 644 B12R0.4 CCCCCCCC(C)CC(=O)O MCULE-8785424338 [1,1,0,0,0,0|0,0,0]=2 645 B12R0.4 CCCCCCCC(C)OC(=O)C MCULE-5744025046 [1,1,0,0,0,0|2,0,0]=4 646 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-6703111524 [1,1,0,0,0,0|0,0,0]=2 647 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-7291666407 [1,1,0,0,0,0|0,0,0]=2 648 B12R0.4 CCCCCCCC(O)CC(=O)O MCULE-4360629497 [1,1,0,0,0,0|0,0,0]=2 649 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O MCULE-9404172021 [1,1,0,0,0,0|0,0,0]=2 650 B12R0.4 CCCCCCC[C@H](O)CC(=O)O MCULE-4030960180 [1,1,0,0,0,0|0,0,0]=2 651 B12R0.95 CCCCC(=O)CCCCC(=O)O MCULE-6207970958 [1,1,0,0,0,0|0,0,1]=3 652 B12R0.119 CCCCCCCCCP(=O)(O)O MCULE-4052139199 [1,1,0,0,0,0|1,0,0]=3 653 B12R0.119 CCCCCCCCCS(=O)(=O)Cl MCULE-8052966186 [1,1,0,0,0,0|1,0,1]=4 654 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-1927567552 [1,1,0,0,0,0|1,0,1]=4 655 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-3281419364 [1,1,0,0,0,0|1,0,1]=4 656 B12R0.119 CCCCCCCCOP(=O)(O)O MCULE-5203489281 [1,1,0,0,0,0|2,0,0]=4 657 B12R0.184 C=CC(O)CCCCCCC(=O)O MCULE-2198484452 [1,1,0,0,0,0|0,0,2]=4 658 B12R0.184 CCC(=O)CCCCCCC(=O)O MCULE-4717498477 [1,1,0,0,0,0|0,0,1]=3 659 B12R0.184 CCC(C)CCCCCCC(=O)O MCULE-2900681210 [1,1,0,0,0,0|0,0,0]=2 660 B12R0.184 COC(=O)CCCCCCC(=O)O MCULE-9793115364 [1,1,0,0,0,0|1,0,1]=4 661 B12R0.233 CCCCCC(=O)CCCC(=O)O MCULE-7183792222 [1,1,0,0,0,0|0,0,1]=3 662 B12R0.233 CCCCCC(=O)NCCC(=O)O MCULE-7265291580 [1,1,0,0,0,0|1,0,1]=4 663 B12R0.233 CCCCCC(O)CCCC(=O)O MCULE-2335278488 [1,1,0,0,0,0|0,0,0]=2 664 B12R0.233 CCCCCC(O)CCCC(=O)[O-] MCULE-7035156488 [1,1,0,0,0,0|0,0,1]=3 665 B12R0.233 CCCCNC(=O)CCCC(=O)O MCULE-9110065966 [1,1,0,0,0,0|1,0,1]=4 666 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-2799345068 [1,1,0,0,0,0|0,0,2]=4 667 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-9903243220 [1,1,0,0,0,0|0,0,2]=4 668 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-2269405644 [1,1,0,0,0,0|0,0,2]=4 669 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-9502690178 [1,1,0,0,0,0|0,0,2]=4 670 B12R0.251 CCCCCCCCC(Br)C(=O)O MCULE-2249695757 [1,1,0,0,0,0|0,0,0]=2 671 B12R0.251 CCCCCCCCC(C)C(=O)O MCULE-5055484783 [1,1,0,0,0,0|0,0,0]=2 672 B12R0.251 CCCCCCCCC(N)C(=O)O MCULE-5147614071 [1,1,0,0,0,0|0,0,0]=2 673 B12R0.251 CCCCCCCCC(O)C(=O)O MCULE-8352063977 [1,1,0,0,0,0|0,0,0]=2 674 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O MCULE-7683022827 [1,1,0,0,0,0|0,0,0]=2 675 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O MCULE-7339170439 [1,1,0,0,0,0|0,0,0]=2 676 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-4486967061 [1,1,0,0,0,0|0,0,0]=2 677 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-5097554565 [1,1,0,0,0,0|0,0,0]=2 678 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-8055488376 [1,1,0,0,0,0|0,0,0]=2 679 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-9794122537 [1,1,0,0,0,0|0,0,0]=2 680 B12R0.251 CCCCCCCOC(C)C(=O)O MCULE-7189109747 [1,1,0,0,0,0|1,0,0]=3 681 B12R0.251 [C@@H](N)(CCCCCCCC)C(=O)O MCULE-7027186088 [1,1,0,0,0,0|0,0,0]=2 682 B12R0.255 CCCCCCC(=O)CCC(=O)O MCULE-1506437124 [1,1,0,0,0,0|0,0,1]=3 683 B12R0.255 CCCCCCC(O)CCC(=O)O MCULE-5591309975 [1,1,0,0,0,0|0,0,0]=2 684 B12R0.255 CCCCCCC(O)CCC(=O)[O-] MCULE-4395510611 [1,1,0,0,0,0|0,0,1]=3 685 B12R0.255 CCCCCCS(=O)CCC(=O)[O-] MCULE-1159145242 [1,1,0,0,0,0|1,0,1]=4 686 B12R0.255 CCCCCCS(=O)CCC(=O)[O-] MCULE-6759587023 [1,1,0,0,0,0|1,0,1]=4 687 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [1,1,0,0,0,0|0,0,1]=3 688 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [1,1,0,0,0,0|0,0,0]=2 689 B12R0.268 CC(C)SCCCCCCC(=O)O MCULE-2523005761 [1,1,0,0,0,0|1,0,0]=3 690 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [1,1,0,0,0,0|0,0,0]=2 691 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [1,1,0,0,0,0|1,0,1]=4 692 B12R0.268 O=C(O)CCCCCCCC(=O)O MCULE-4093240509 [1,1,0,0,0,0|1,0,1]=4 693 B12R0.277 CCCC(=O)CCCCCC(=O)O MCULE-2592304646 [1,1,0,0,0,0|0,0,1]=3 694 B12R0.277 CCCC(C)CCCCCC(=O)O MCULE-8094468025 [1,1,0,0,0,0|0,0,0]=2 695 B12R0.277 CCCC(N)CCCCCC(=O)O MCULE-6921348147 [1,1,0,0,0,0|0,0,0]=2 696 B12R0.277 CCOC(=O)CCCCCC(=O)O MCULE-3615439341 [1,1,0,0,0,0|1,0,1]=4 697 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [0,2,0,0,0,0|0,0,0]=2 698 B14R0.2 CCCCCCCC(=O)NCCC(=O)O MCULE-8282090533 [0,2,0,0,0,0|0,0,1]=3 699 B14R0.2 CCCCCCCC(=O)NCCC(=O)[O-] MCULE-3856683125 [0,2,0,0,0,0|0,0,2]=4 700 B14R0.2 CCCCCCCC(O)CCCC(=O)O MCULE-5858594058 [0,2,0,0,0,0|0,0,0]=2 701 B14R0.2 CCCCCCNC(=O)NCCC(=O)O MCULE-1746164538 [0,2,0,0,0,0|1,0,1]=4 702 B14R0.67 CC(=O)OCCCC(C)CCCC(C)C MCULE-2997403922 [0,2,0,0,0,0|2,0,0]=4 703 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [0,2,0,0,0,0|0,0,0]=2 704 B14R0.68 CC(=O)CCCCCCCCNC(=O)C MCULE-5569964910 [0,2,0,0,0,0|1,0,1]=4 705 B14R0.68 CC(=O)NCCCCCCCCC(=O)O MCULE-6693735666 [0,2,0,0,0,0|0,0,1]=3 706 B14R0.68 CC(C)CCCCCCC/C=C\C(=O)O MCULE-6085372462 [0,2,0,0,0,0|0,0,1]=3 707 B14R0.68 CC(C)CCCCCCCC=CC(=O)O MCULE-2095727186 [0,2,0,0,0,0|0,0,1]=3 708 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [0,2,0,0,0,0|0,0,0]=2 709 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [0,2,0,0,0,0|0,0,0]=2 710 B14R0.68 O=C(O)CCCCCCCCCC(=O)O MCULE-3587613382 [0,2,0,0,0,0|0,0,1]=3 711 B14R0.88 CCCCCCCCCCCP(=O)(O)O MCULE-1217279150 [0,2,0,0,0,0|1,0,0]=3 712 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [0,2,0,0,0,0|1,0,1]=4 713 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [0,2,0,0,0,0|1,0,1]=4 714 B14R0.88 CCCCCCCCCCOP(=O)(O)O MCULE-6182561553 [0,2,0,0,0,0|1,0,0]=3 715 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [0,2,0,0,0,0|1,0,0]=3 716 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [0,2,0,0,0,0|1,0,0]=3 717 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] MCULE-7216166437 [0,2,0,0,0,0|1,0,1]=4 718 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-5353498495 [0,2,0,0,0,0|1,0,0]=3 719 B14R0.88 NCCCCCCCCCCP(=O)(O)O MCULE-8370982773 [0,2,0,0,0,0|1,0,0]=3 720 B14R0.88 O=P(O)(O)CCCCCCCCCCBr MCULE-8137402085 [0,2,0,0,0,0|1,0,0]=3 721 B14R0.153 CCCCC(=O)CCCCCCC(=O)O MCULE-9203558568 [0,2,0,0,0,0|0,0,0]=2 722 B14R0.153 CCCCC(O)CCCCCCC(=O)O MCULE-9749358521 [0,2,0,0,0,0|0,0,0]=2 723 B14R0.231 C=CCCCC(=O)CCCCCC(=O)O MCULE-5304256304 [0,2,0,0,0,0|0,0,2]=4 724 B14R0.231 CCCCCC(=O)CCCCCC(=O)O MCULE-3463709825 [0,2,0,0,0,0|0,0,0]=2 725 B14R0.231 CCCCCC(=O)NCCCCC(=O)O MCULE-9650195842 [0,2,0,0,0,0|0,0,1]=3 726 B14R0.231 CCCCCC(O)CCCCCC(=O)O MCULE-1531878545 [0,2,0,0,0,0|0,0,0]=2 727 B14R0.305 C=CC(=O)OCCCCCCCC(C)C MCULE-6631078826 [0,2,0,0,0,0|2,0,0]=4 728 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [0,2,0,0,0,0|0,0,0]=2 729 B14R0.305 CCC(C)CCCCCCCCC(=O)O MCULE-9730846585 [0,2,0,0,0,0|0,0,0]=2 730 B14R0.305 COC(=O)CCCCCCCCC(=O)Cl MCULE-2877186513 [0,2,0,0,0,0|1,0,1]=4 731 B14R0.305 COC(=O)CCCCCCCCC(=O)O MCULE-8938642997 [0,2,0,0,0,0|0,0,1]=3 732 B14R0.305 COC(=O)CCCCCCCCC(C)C MCULE-4071576185 [0,2,0,0,0,0|0,0,0]=2 733 B14R0.305 NNC(=O)CCCCCCCCC(=O)O MCULE-6662669788 [0,2,0,0,0,0|1,0,1]=4 734 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [0,2,0,0,0,0|0,0,0]=2 735 B14R0.337 C#CC(O)CCCCCCCCCCC MCULE-1894988558 [0,2,0,0,0,0|1,0,1]=4 736 B14R0.337 C#CCCCCCCCCCC(=O)OC MCULE-2600718880 [0,2,0,0,0,0|0,0,1]=3 737 B14R0.337 C=CC(=O)OCCCCCCCCCC MCULE-3709831969 [0,2,0,0,0,0|1,0,0]=3 738 B14R0.337 C=CCCCCCCCCCC(=O)OC MCULE-1906791288 [0,2,0,0,0,0|0,0,1]=3 739 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-5898572032 [0,2,0,0,0,0|1,0,0]=3 740 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-8778239925 [0,2,0,0,0,0|1,0,0]=3 741 B14R0.337 CCCCCCCCCCCC(=O)CC MCULE-2582968261 [0,2,0,0,0,0|1,0,0]=3 742 B14R0.337 CCCCCCCCCCCC(=O)NC MCULE-2342575514 [0,2,0,0,0,0|1,0,0]=3 743 B14R0.337 CCCCCCCCCCCC(=O)NN MCULE-7169996147 [0,2,0,0,0,0|1,0,0]=3 744 B14R0.337 CCCCCCCCCCCC(=O)OC MCULE-5588995078 [0,2,0,0,0,0|0,0,0]=2 745 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-2365829470 [0,2,0,0,0,0|1,0,1]=4 746 B14R0.337 CCCCCCCCCCCC([NH3+])CO MCULE-3278971603 [0,2,0,0,0,0|1,0,1]=4 747 B14R0.337 CCCCCCCCCCNC(=O)CBr MCULE-9700566039 [0,2,0,0,0,0|1,0,0]=3 748 B14R0.337 CCCCCCCCCCNC(=O)CCl MCULE-9148882207 [0,2,0,0,0,0|1,0,0]=3 749 B14R0.337 CCCCCCCCCCNC(=S)NN MCULE-3954684394 [0,2,0,0,0,0|1,1,0]=4 750 B14R0.337 CCCCCCCCCCOC(=O)CC MCULE-5080633291 [0,2,0,0,0,0|1,0,0]=3 751 B14R0.337 CCCCCCCCCCOC(=O)CCl MCULE-7984482986 [0,2,0,0,0,0|1,0,0]=3 752 B14R0.337 CCCCCCCCCCOC(=O)CN MCULE-5542693903 [0,2,0,0,0,0|1,0,0]=3 753 B14R0.337 CCCCCCCCNCCC(=O)OC MCULE-3052571159 [0,2,0,0,0,0|0,0,0]=2 754 B14R0.337 COC(=O)CCCCCCCCCCBr MCULE-8632429257 [0,2,0,0,0,0|0,0,0]=2 755 B14R0.337 COC(=O)CCCCCCCCCCCl MCULE-4470603458 [0,2,0,0,0,0|0,0,0]=2 756 B14R0.337 COC(=O)CCCCCCCCCCI MCULE-2171087302 [0,2,0,0,0,0|0,0,0]=2 757 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-5833366967 [0,2,0,0,0,0|0,0,0]=2 758 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-9980770025 [0,2,0,0,0,0|0,0,0]=2 759 B14R0.340 CCCCCCCCCCC(Br)C(=O)O MCULE-8612961366 [0,2,0,0,0,0|0,0,0]=2 760 B14R0.340 CCCCCCCCCCC(C)C(=O)O MCULE-9255156956 [0,2,0,0,0,0|0,0,0]=2 761 B14R0.340 CCCCCCCCCCC(Cl)C(=O)O MCULE-6251475162 [0,2,0,0,0,0|0,0,0]=2 762 B14R0.340 CCCCCCCCCCC(N)C(=O)O MCULE-3310366500 [0,2,0,0,0,0|0,0,0]=2 763 B14R0.340 CCCCCCCCCCC(O)C(=O)O MCULE-5171743084 [0,2,0,0,0,0|0,0,0]=2 764 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O MCULE-6652767353 [0,2,0,0,0,0|0,0,0]=2 765 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-4936998730 [0,2,0,0,0,0|0,0,0]=2 766 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-6114365319 [0,2,0,0,0,0|0,0,0]=2 767 B14R0.340 NCCCCNCCCC[C@H](N)C(=O)O MCULE-6406203156 [0,2,0,0,0,0|1,0,0]=3 768 B14R0.344 CCCCCCCCC(=O)CCC(=O)O MCULE-8037408561 [0,2,0,0,0,0|0,0,0]=2 769 B14R0.344 CCCCCCCCC(C)CCC(=O)O MCULE-9191627113 [0,2,0,0,0,0|0,0,0]=2 770 B14R0.344 CCCCCCCCC(O)CCC(=O)O MCULE-6470944503 [0,2,0,0,0,0|0,0,0]=2 771 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] MCULE-2857603909 [0,2,0,0,0,0|0,0,1]=3 772 B14R0.344 CCCCCCCCS(=O)CCC(=O)N MCULE-4064667650 [0,2,0,0,0,0|1,0,0]=3 773 B14R0.344 CCCCCCCCS(=O)CCC(=O)O MCULE-6503950443 [0,2,0,0,0,0|0,0,0]=2 774 B14R0.344 CCCCCCCNC(=O)CCC(=O)O MCULE-7895735111 [0,2,0,0,0,0|0,0,1]=3 775 B14R0.344 O=C(O)CCC(=O)OCCCCCCO MCULE-8699860817 [0,2,0,0,0,0|1,0,1]=4 776 B14R0.391 CCCCCC/C=C\CC(O)CC(=O)O MCULE-2404322318 [0,2,0,0,0,0|0,0,1]=3 777 B14R0.391 CCCCCCCCCC(C)CC(=O)O MCULE-2198601753 [0,2,0,0,0,0|0,0,0]=2 778 B14R0.391 CCCCCCCCCC(O)CC(=O)O MCULE-8054557225 [0,2,0,0,0,0|0,0,0]=2 779 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O MCULE-9862158900 [0,2,0,0,0,0|0,0,0]=2 780 B14R0.391 CCCCCCCCNC(=O)CC(=O)O MCULE-5427245082 [0,2,0,0,0,0|0,0,1]=3 781 B14R0.391 CCCCCCCCOC(=O)CC(=O)C MCULE-8441732366 [0,2,0,0,0,0|1,0,1]=4 782 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [0,2,0,0,0,0|0,0,0]=2 783 B14R0.394 C=C(C)CCCCCCCCCCCC MCULE-1660064186 [0,2,0,0,0,0|2,0,0]=4 784 B14R0.394 C=CCCCCCCCCCCC(=C)C MCULE-2402891038 [0,2,0,0,0,0|2,0,0]=4 785 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [0,2,0,0,0,0|0,0,0]=2 786 B14R0.394 C=CCCCCCCCCCSC(=O)C MCULE-4760117307 [0,2,0,0,0,0|1,0,1]=4 787 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [0,2,0,0,0,0|0,0,0]=2 788 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [0,2,0,0,0,0|0,0,0]=2 789 B14R0.394 CCCCCCCCCCCCB(O)O MCULE-9093678828 [0,2,0,0,0,0|1,0,1]=4 790 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [0,2,0,0,0,0|1,0,0]=3 791 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [0,2,0,0,0,0|0,0,0]=2 792 B14R0.394 CCCCCCCCCCCCC(C)O MCULE-1888626759 [0,2,0,0,0,0|1,0,1]=4 793 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [0,2,0,0,0,0|1,0,1]=4 794 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [0,2,0,0,0,0|2,0,0]=4 795 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [0,2,0,0,0,0|1,0,0]=3 796 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [0,2,0,0,0,0|0,0,0]=2 797 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [0,2,0,0,0,0|0,0,0]=2 798 B14R0.394 CCCCCCCCSCCOC(=O)C MCULE-3293546242 [0,2,0,0,0,0|1,0,0]=3 799 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-4393321218 [0,2,0,0,0,0|2,0,0]=4 800 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-8799034938 [0,2,0,0,0,0|2,0,0]=4 801 B14R0.394 COCCOCCOCCOCC(=O)O MCULE-5417867636 [0,2,0,0,0,0|2,0,0]=4 802 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [0,2,0,0,0,0|0,0,0]=2 803 B14R0.394 N#N=NCCCCCCCCCC(=O)O MCULE-9886282931 [0,2,0,0,0,0|1,0,0]=3 804 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [0,2,0,0,0,0|0,0,0]=2 805 B14R0.394 NCCOCCOCCOCCC(=O)O MCULE-1677529776 [0,2,0,0,0,0|2,0,0]=4 806 B14R0.394 NCCOCCOCCOCCC(=O)O MCULE-6785929392 [0,2,0,0,0,0|2,0,0]=4 807 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [0,2,0,0,0,0|0,0,0]=2 808 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [0,2,0,0,0,0|0,0,0]=2 809 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [0,2,0,0,0,0|0,0,0]=2 810 B14R0.394 O=C(O)CCOCCOCCOCCBr MCULE-5688301812 [0,2,0,0,0,0|2,0,0]=4 811 B14R0.394 O=C(O)CCOCCOCCOCCO MCULE-7818931244 [0,2,0,0,0,0|2,0,0]=4 812 B14R0.394 O=C(O)CCOCCOCCOCCS MCULE-7580641969 [0,2,0,0,0,0|2,0,0]=4 813 B14R0.394 O=C(O)COCCOCCCCCCCl MCULE-1118128476 [0,2,0,0,0,0|1,0,0]=3 814 B14R0.394 O=N(=O)CCCCCCCCCCCO MCULE-8940789390 [0,2,0,0,0,0|1,0,1]=4 815 B14R0.432 CCOC(=O)CCCCCCCC(=O)C MCULE-8382585898 [0,2,0,0,0,0|1,0,1]=4 816 B14R0.2224 CCCCCCC(O)CCCCC(=O)O MCULE-1514435932 [0,2,0,0,0,0|0,0,0]=2 817 B14R0.35 CCCC(=O)NCCCCC(N)C(=O)O MCULE-2353047496 [0,2,0,0,0,0|1,0,1]=4 818 B14R0.35 CCCC(=O)NCCCCC(N)C(=O)O MCULE-9559831237 [0,2,0,0,0,0|1,0,1]=4 819 B14R0.35 CCCC(=O)NCCCC[C@H](N)C(=O)O MCULE-3775169948 [0,2,0,0,0,0|1,0,1]=4 820 B14R0.35 CCCC(=O)NCCCC[C@H](N)C(=O)O MCULE-6484090715 [0,2,0,0,0,0|1,0,1]=4 821 B14R0.427 O=C(O)CCCCCCC(O)CC(=O)O MCULE-3584480331 [0,2,0,0,0,0|1,0,1]=4 822 B14R0.82 CCCCCCCCC(O)CC(=O)OC MCULE-6227515416 [0,2,0,0,0,0|0,0,0]=2 823 B14R0.140 CCCCCOCC(O)CCC(=O)NN MCULE-4859577753 [0,2,0,0,0,0|2,0,0]=4 824 B14R0.181 CCCCCCCCCC(O)C(=O)OC MCULE-6591992421 [0,2,0,0,0,0|0,0,0]=2 825 B14R0.197 CCC(C)CCCCCCCC(=O)OC MCULE-6741530079 [0,2,0,0,0,0|0,0,0]=2 826 B14R0.197 CCC(O)CCCCCCCC(O)CC MCULE-7817304037 [0,2,0,0,0,0|1,0,1]=4 827 B14R0.197 COC(=O)CCCCCCCC(=O)OC MCULE-3415352484 [0,2,0,0,0,0|1,0,1]=4 828 B14R0.393 C=CCCCCCCCCC(=O)OC=C MCULE-6691284845 [0,2,0,0,0,0|0,0,2]=4 829 B14R0.393 C=CCCCCCCCCC(=O)OCC MCULE-8561484163 [0,2,0,0,0,0|0,0,2]=4 830 B14R0.393 CCCCCCCCC#CC(=O)OCC MCULE-1422889109 [0,2,0,0,0,0|0,0,2]=4 831 B14R0.393 CCCCCCCCCCC(=O)OCC MCULE-7345568612 [0,2,0,0,0,0|0,0,0]=2 832 B14R0.393 CCCCCCCCCCN(C)CCO MCULE-3497889898 [0,2,0,0,0,0|2,0,0]=4 833 B14R0.393 CCCCCCCCCCS(=O)CCCl MCULE-1369991528 [0,2,0,0,0,0|2,0,0]=4 834 B14R0.393 CCCCCCCCCCS(=O)CCO MCULE-6360797475 [0,2,0,0,0,0|1,0,0]=3 835 B14R0.393 CCCCCCCCCNC(=O)CC#N MCULE-4595673603 [0,2,0,0,0,0|2,0,0]=4 836 B14R0.393 CCCCCCCCCNC(=O)CCS MCULE-5450463677 [0,2,0,0,0,0|1,1,0]=4 837 B14R0.393 CCCCCCCNCCC(=O)NCC MCULE-8513247916 [0,2,0,0,0,0|2,0,0]=4 838 B14R0.393 CCCCCCCNCCC(=O)OCC MCULE-6058376626 [0,2,0,0,0,0|1,0,0]=3 839 B14R0.393 CCOC(=O)CCCCCCCCC=O MCULE-1701011376 [0,2,0,0,0,0|1,0,1]=4 840 B14R0.393 CCOC(=O)CCCCCCCCCBr MCULE-9108239972 [0,2,0,0,0,0|1,0,0]=3 841 B14R0.393 CCOC(=O)CCCCCCCCCO MCULE-7625421399 [0,2,0,0,0,0|1,0,0]=3 842 B14R0.393 CCOCCCCCCCC(=O)OCC MCULE-2934612920 [0,2,0,0,0,0|1,0,0]=3 843 B14R0.2056 CCCCCCCCCCS(=O)(=O)NN MCULE-3501182518 [0,2,0,0,0,0|1,0,1]=4 844 B14R0.2056 CCCCCCCCCC[Si](C)(C)OC MCULE-9665173477 [0,2,0,0,0,0|1,1,0]=4 845 B14R0.229 CCCCCC(=O)NCC[C@H](N)C(=O)O MCULE-2780685849 [0,2,0,0,0,0|1,0,1]=4 846 B14R0.488 CCCCCCCCCC(CC)C(=O)O MCULE-4832087170 [0,2,0,0,0,0|0,0,0]=2 847 B14R0.549 NC(CCCCCCCC(=O)O)C(=O)O MCULE-4762996603 [0,2,0,0,0,0|1,0,1]=4 848 B14R0.549 O=C(O)CCCCCCC[C@@H](O)C(=O)O MCULE-4932955141 [0,2,0,0,0,0|1,0,1]=4 849 B14R0.2298 CCCCCCCCCC(C)(C)C(=O)O MCULE-7267108275 [0,2,0,0,0,0|0,0,0]=2 850 B14R0.138 CCCCCCCC(=O)N(C)CC(=O)O MCULE-8112807268 [0,2,0,0,0,0|1,0,1]=4 851 B14R0.2430 CCCCCC(C)NC(=O)CCC(=O)O MCULE-7476768945 [0,2,0,0,0,0|1,0,1]=4 852 B14R0.489 CCCCCCCCC(CCl)NC(=O)C MCULE-1523837959 [0,2,0,0,0,0|2,0,0]=4 853 B14R0.2523 CCCCCCCCS(=O)(=O)CC(=O)O MCULE-1362486401 [0,2,0,0,0,0|1,0,0]=3 854 B12R1.8 C=CCCCCC1CCCCC1 MCULE-1420996147 [1,0,0,1,0,0|1,0,0]=3 855 B12R1.8 CCCCCCC1CCCCC1 MCULE-5596413302 [1,0,0,1,0,0|1,0,1]=4 856 B12R1.8 CCCCCCC1CCCCN1 MCULE-4953489742 [1,0,0,1,0,0|1,0,1]=4 857 B12R1.8 CCCCCCC1CCCCN1 MCULE-7758843685 [1,0,0,1,0,0|1,0,1]=4 858 B12R1.8 CCCCCCC1CCCNC1 MCULE-3360628584 [1,0,0,1,0,0|2,0,0]=4 859 B12R1.8 CCCCCCC1CCCNC1 MCULE-4345567859 [1,0,0,1,0,0|2,0,0]=4 860 B12R1.8 OCCCCCN1CCCCC1 MCULE-3016698326 [1,0,0,1,0,0|1,0,1]=4 861 B12R1.8 OCCCCNC1CCCCC1 MCULE-2543962577 [1,0,0,1,0,0|1,0,1]=4 862 B12R1.8 OCCCNCC1CCCCC1 MCULE-2206880526 [1,0,0,1,0,0|1,0,1]=4 863 B12R1.8 OCCCOCC1CCCCC1 MCULE-5047368988 [1,0,0,1,0,0|1,0,1]=4 864 B12R1.18 CCCCN1CCCCCC1=O MCULE-2860927768 [1,0,0,1,0,0|1,0,0]=3 865 B12R1.18 CCCCN1CCNCCC1=O MCULE-5173759883 [1,0,0,1,0,0|2,0,0]=4 866 B12R1.18 NCCCN1CCCCCC1=O MCULE-7534720301 [1,0,0,1,0,0|2,0,0]=4 867 B12R1.18 NCCCN1CCCCCC1=O MCULE-7641696435 [1,0,0,1,0,0|2,0,0]=4 868 B12R1.37 CCCCCCCC1OCCO1 MCULE-9440265689 [1,0,0,1,0,0|1,0,1]=4 869 B12R1.121 CCC1CCCCC1OCCO MCULE-2333871269 [1,0,0,1,0,0|1,0,1]=4 870 B12R1.215 O=C1CCNCCCCCCN1 MCULE-1263100451 [1,0,0,1,0,0|2,0,0]=4 871 B12R1.267 CCCCC=C1CCCCC1=O MCULE-6881426714 [1,0,0,1,0,0|0,0,2]=4 872 B12R1.267 CCCCCC1CCCCC1=O MCULE-3162873716 [1,0,0,1,0,0|0,0,0]=2 873 B12R1.267 NCCCCN1CCCCC1=O MCULE-5609841049 [1,0,0,1,0,0|2,0,0]=4 874 B12R1.267 O=C1CCCCC1CNCCBr MCULE-7462371251 [1,0,0,1,0,0|2,0,0]=4 875 B12R1.267 O=C1CCCCC1CNCCBr MCULE-8159055342 [1,0,0,1,0,0|2,0,0]=4 876 B12R1.329 C=CCNC1CCCCCCC1 MCULE-4436940732 [1,0,0,1,0,0|2,0,0]=4 877 B12R1.329 C=CCNC1CCCCCCC1 MCULE-7467999336 [1,0,0,1,0,0|2,0,0]=4 878 B12R1.372 CCCCCCC1=CCCC1=O MCULE-1287633510 [1,0,0,1,0,0|0,0,2]=4 879 B12R1.372 CCCCCCC1CCCC1=O MCULE-9980064191 [1,0,0,1,0,0|0,0,0]=2 880 B12R1.372 CCCCCCC1CCOC1=O MCULE-7489729502 [1,0,0,1,0,0|1,0,0]=3 881 B12R1.372 CCCCCCN1CCCC1=O MCULE-1097521229 [1,0,0,1,0,0|1,0,0]=3 882 B12R1.375 CCCCCCCCC[C@@H]1CO1 MCULE-1904651720 [1,0,0,1,0,0|0,0,1]=3 883 B12R1.375 CCCCCCCOC[C@H]1CO1 MCULE-6928162982 [1,0,0,1,0,0|1,0,1]=4 884 B12R1.410 CNC1CCCCCCCCC1 MCULE-9906028937 [1,0,0,1,0,0|2,0,0]=4 885 B12R1.550 C1=CCCCCCCCCCC1 MCULE-7809911769 [1,0,0,1,0,0|1,0,0]=3 886 B12R1.550 C1=CCCCCCCCCCC1 MCULE-9211992042 [1,0,0,1,0,0|1,0,0]=3 887 B12R1.550 C1CCCCCCCCCCC1 MCULE-7420288531 [1,0,0,1,0,0|1,0,1]=4 888 B12R1.1414 C=CCCCC1CCCCCC1 MCULE-7969593113 [1,0,0,1,0,0|1,0,0]=3 889 B12R1.1414 OCCCCN1CCCCCC1 MCULE-6965728729 [1,0,0,1,0,0|1,0,1]=4 890 B12R1.1414 OCCCOC1CCCCCC1 MCULE-9402583694 [1,0,0,1,0,0|1,0,1]=4 891 B12R1.7 CCCC#CCC1CCC(=O)O1 MCULE-9827566704 [1,0,0,1,0,0|0,0,2]=4 892 B12R1.7 CCCCCCC1CCC(=O)O1 MCULE-8274362783 [1,0,0,1,0,0|0,0,0]=2 893 B12R1.7 CCCCOCC1CNC(=O)O1 MCULE-6966705652 [1,0,0,1,0,0|2,0,0]=4 894 B12R1.28 CC/C=C\CC1CCCC(=O)O1 MCULE-3393454158 [1,0,0,1,0,0|0,0,2]=4 895 B12R1.28 CCC=CCC1CCCC(=O)O1 MCULE-9639028527 [1,0,0,1,0,0|0,0,2]=4 896 B12R1.28 CCCCCC1CC=CC(=O)O1 MCULE-9666662342 [1,0,0,1,0,0|0,0,2]=4 897 B12R1.28 CCCCCC1CCCC(=O)O1 MCULE-2527242599 [1,0,0,1,0,0|0,0,0]=2 898 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 MCULE-1286702458 [1,0,0,1,0,0|0,0,2]=4 899 B12R1.28 CCCCC[C@H]1CC=CC(=O)O1 MCULE-7838361683 [1,0,0,1,0,0|0,0,2]=4 900 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-1466936975 [1,0,0,1,0,0|1,0,0]=3 901 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-4786692834 [1,0,0,1,0,0|1,0,0]=3 902 B12R1.75 COC1COCCC1CC(=O)O MCULE-1148352268 [1,0,0,1,0,0|2,0,0]=4 903 B12R1.75 O=C(O)CN1CCCCC1CBr MCULE-4745302069 [1,0,0,1,0,0|2,0,0]=4 904 B12R1.75 O=C(O)CN1CCCCC1CCl MCULE-1771575283 [1,0,0,1,0,0|2,0,0]=4 905 B12R1.75 O=C(O)CN1CCCCC1CI MCULE-1312726912 [1,0,0,1,0,0|2,0,0]=4 906 B12R1.75 O=C(O)CN1CCCCC1CO MCULE-9904924658 [1,0,0,1,0,0|2,0,0]=4 907 B12R1.81 COC1CCCC1NCC(=O)O MCULE-2262288610 [1,0,0,1,0,0|2,0,0]=4 908 B12R1.125 CC1CCCCC1OCC(=O)O MCULE-2149192016 [1,0,0,1,0,0|1,0,0]=3 909 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-2264327508 [1,0,0,1,0,0|1,0,0]=3 910 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-6515087928 [1,0,0,1,0,0|1,0,0]=3 911 B12R1.125 CC1CNCCC1CCC(=O)O MCULE-8609285846 [1,0,0,1,0,0|1,0,0]=3 912 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-7324723252 [1,0,0,1,0,0|1,0,0]=3 913 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-8814910063 [1,0,0,1,0,0|1,0,0]=3 914 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-6538296828 [1,0,0,1,0,0|1,0,0]=3 915 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-9802411985 [1,0,0,1,0,0|1,0,0]=3 916 B12R1.125 O=C(O)CCC1CCCCC1=O MCULE-4224119563 [1,0,0,1,0,0|1,0,1]=4 917 B12R1.125 O=C(O)CSC1CCCCC1O MCULE-9209996677 [1,0,0,1,0,0|2,0,0]=4 918 B12R1.130 CN1CCCC1CNCC(=O)O MCULE-3274185883 [1,0,0,1,0,0|2,0,0]=4 919 B12R1.130 CN1CCCC1COCC(=O)O MCULE-2248139834 [1,0,0,1,0,0|2,0,0]=4 920 B12R1.130 CN1CCCC1COCC(=O)O MCULE-6246100493 [1,0,0,1,0,0|2,0,0]=4 921 B12R1.130 CN1CCC[C@H]1CNCC(=O)O MCULE-5802596984 [1,0,0,1,0,0|2,0,0]=4 922 B12R1.130 CN1CCC[C@H]1COCC(=O)O MCULE-6137867536 [1,0,0,1,0,0|2,0,0]=4 923 B12R1.141 O=C1CCCCCCCC(=O)O1 MCULE-2456565439 [1,0,0,1,0,0|1,0,1]=4 924 B12R1.170 NCCC1CCCCCC(=O)N1 MCULE-7372073941 [1,0,0,1,0,0|2,0,0]=4 925 B12R1.170 NCCC1CCCCCC(=O)N1 MCULE-9427535286 [1,0,0,1,0,0|2,0,0]=4 926 B12R1.212 CC1CCC=CCCC1C(=O)O MCULE-6485603876 [1,0,0,1,0,0|0,0,2]=4 927 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-2303513219 [1,0,0,1,0,0|1,0,0]=3 928 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-5336927273 [1,0,0,1,0,0|1,0,0]=3 929 B12R1.212 O=C(O)C1CCCCCCC1=O MCULE-5304671902 [1,0,0,1,0,0|1,0,1]=4 930 B12R1.252 C=C(C)CCCC1CCCCC1 MCULE-7799078786 [1,0,0,1,0,0|2,0,0]=4 931 B12R1.252 CC(=O)CCCC1CCCCC1 MCULE-5187598883 [1,0,0,1,0,0|1,0,0]=3 932 B12R1.252 CC(=O)SCCC1CCCCC1 MCULE-8635148363 [1,0,0,1,0,0|2,0,0]=4 933 B12R1.252 NC(=O)CCCC1CCNCC1 MCULE-8068328020 [1,0,0,1,0,0|2,0,0]=4 934 B12R1.252 NC(=O)CCNC1CCCCC1 MCULE-6961669869 [1,0,0,1,0,0|2,0,0]=4 935 B12R1.252 O=C(Cl)CCCC1CCCCC1 MCULE-6685434994 [1,0,0,1,0,0|1,0,0]=3 936 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [1,0,0,1,0,0|0,0,0]=2 937 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6744436702 [1,0,0,1,0,0|1,0,0]=3 938 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6927833795 [1,0,0,1,0,0|1,0,0]=3 939 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-1999021566 [1,0,0,1,0,0|1,0,0]=3 940 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-5061937452 [1,0,0,1,0,0|1,0,0]=3 941 B12R1.252 O=C(O)CCCC1CCOCC1 MCULE-3067113283 [1,0,0,1,0,0|1,0,0]=3 942 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-2691750895 [1,0,0,1,0,0|1,0,0]=3 943 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-7693123644 [1,0,0,1,0,0|1,0,0]=3 944 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-3808061194 [1,0,0,1,0,0|2,0,0]=4 945 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-6111321827 [1,0,0,1,0,0|2,0,0]=4 946 B12R1.252 O=C(O)CCNC1CCCCC1 MCULE-9246786190 [1,0,0,1,0,0|1,0,0]=3 947 B12R1.252 O=C(O)CCOC1CCCCO1 MCULE-1716928477 [1,0,0,1,0,0|2,0,0]=4 948 B12R1.252 O=C(O)CCOC1CCOCC1 MCULE-9390535734 [1,0,0,1,0,0|2,0,0]=4 949 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8613545922 [1,0,0,1,0,0|1,0,0]=3 950 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8778334854 [1,0,0,1,0,0|1,0,0]=3 951 B12R1.252 O=C(O)COCC1CCCCO1 MCULE-4058015104 [1,0,0,1,0,0|2,0,0]=4 952 B12R1.252 O=C(O)CSCC1CCCCO1 MCULE-4195821334 [1,0,0,1,0,0|2,0,0]=4 953 B12R1.252 O=C([O-])CCCC1CCCCC1 MCULE-8598802518 [1,0,0,1,0,0|0,0,1]=3 954 B12R1.252 OB(O)CCCC1CCCCC1 MCULE-4093256475 [1,0,0,1,0,0|1,0,1]=4 955 B12R1.255 O=C(O)CCCCC1CCSS1 MCULE-1034910084 [1,0,0,1,0,0|2,0,0]=4 956 B12R1.255 O=C(O)CCCCC1CSSC1 MCULE-2400272112 [1,0,0,1,0,0|2,0,0]=4 957 B12R1.255 O=C(O)CCCCC1OCCO1 MCULE-2471174890 [1,0,0,1,0,0|2,0,0]=4 958 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-4626905282 [1,0,0,1,0,0|1,0,0]=3 959 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-9805744856 [1,0,0,1,0,0|1,0,0]=3 960 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 MCULE-3939318333 [1,0,0,1,0,0|2,0,0]=4 961 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 MCULE-5119858094 [1,0,0,1,0,0|2,0,0]=4 962 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 MCULE-3745351545 [1,0,0,1,0,0|2,0,0]=4 963 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 MCULE-4196115946 [1,0,0,1,0,0|2,0,0]=4 964 B12R1.255 O=C(O)CCOCC1CCCO1 MCULE-6575689085 [1,0,0,1,0,0|2,0,0]=4 965 B12R1.255 O=C(O)CSCCN1CCCC1 MCULE-8161223615 [1,0,0,1,0,0|2,0,0]=4 966 B12R1.255 O=C(O)CSCCN1CCCC1 MCULE-9395650023 [1,0,0,1,0,0|2,0,0]=4 967 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-1283308328 [1,0,0,1,0,0|1,0,0]=3 968 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-5666620583 [1,0,0,1,0,0|1,0,0]=3 969 B12R1.283 CCCN1CCNCC1C(=O)O MCULE-8138651228 [1,0,0,1,0,0|2,0,0]=4 970 B12R1.289 COCC1CCCN1CC(=O)O MCULE-8271632316 [1,0,0,1,0,0|2,0,0]=4 971 B12R1.405 CCN1CCCCCC1C(=O)O MCULE-2326419949 [1,0,0,1,0,0|1,0,0]=3 972 B12R1.1343 CC(=O)CCC1CCCCCC1 MCULE-1678869086 [1,0,0,1,0,0|1,0,0]=3 973 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [1,0,0,1,0,0|0,0,0]=2 974 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-6902441701 [1,0,0,1,0,0|1,0,0]=3 975 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-8652213601 [1,0,0,1,0,0|1,0,0]=3 976 B12R1.1343 O=C(O)CNC1CCCCCC1 MCULE-3407473628 [1,0,0,1,0,0|1,0,0]=3 977 B12R1.1343 O=C(O)COC1CCCCCC1 MCULE-7705697205 [1,0,0,1,0,0|1,0,0]=3 978 B12R1.1392 C=C(C)CC1CCCCCCC1 MCULE-8129802280 [1,0,0,1,0,0|2,0,0]=4 979 B12R1.1392 CC(=O)OC1CCCCCCC1 MCULE-6350829843 [1,0,0,1,0,0|2,0,0]=4 980 B12R1.1392 NC(=O)NC1CCCCCCC1 MCULE-8088379075 [1,0,0,1,0,0|2,0,0]=4 981 B12R1.1392 O=C(O)CN1CCCCCCC1 MCULE-5706680135 [1,0,0,1,0,0|1,0,0]=3 982 B14R1.220 CCCCCCC1NC(CS1)C(=O)O MCULE-3214462185 [0,1,0,1,0,0|1,0,0]=3 983 B14R1.420 O=C(O)CCCC(=O)C1CCCCC1 MCULE-2351809970 [0,1,0,1,0,0|0,0,1]=3 984 B14R1.420 O=C(O)CCCC(=O)N1CCCCC1 MCULE-3828471263 [0,1,0,1,0,0|1,0,1]=4 985 B14R1.420 O=C(O)CCNC(=O)C1CCCCC1 MCULE-6454839495 [0,1,0,1,0,0|1,0,1]=4 986 B14R1.770 CCCCC1CC(=O)CC1CC(=O)O MCULE-1504120970 [0,1,0,1,0,0|0,0,1]=3 987 B14R1.810 O=C(O)CCCC(=O)NC1CCCC1 MCULE-1782839231 [0,1,0,1,0,0|1,0,1]=4 988 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [0,1,0,1,0,0|0,0,0]=2 989 B14R1.26 CCCCCCCC1OCCC(O1)C MCULE-5031898477 [0,1,0,1,0,0|1,0,1]=4 990 B14R1.26 N#CCCCCCC1CCCC(=O)C1 MCULE-8205747806 [0,1,0,1,0,0|1,0,1]=4 991 B14R1.122 CCCCCCCCC1C=CC(=O)O1 MCULE-5943669264 [0,1,0,1,0,0|0,0,1]=3 992 B14R1.122 CCCCCCCCC1CCC(=O)O1 MCULE-7923543295 [0,1,0,1,0,0|0,0,0]=2 993 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 MCULE-9283902739 [0,1,0,1,0,0|0,0,0]=2 994 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-6634961753 [0,1,0,1,0,0|0,0,0]=2 995 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-7902887603 [0,1,0,1,0,0|0,0,0]=2 996 B14R1.221 CCCCCCCCCCCC1CO1 MCULE-9201050634 [0,1,0,1,0,0|1,0,1]=4 997 B14R1.269 CCCC1CCCCCC1NC(=O)C MCULE-1926366330 [0,1,0,1,0,0|1,0,0]=3 998 B14R1.422 CC(=O)OCCCCC1CCCCN1 MCULE-5119546001 [0,1,0,1,0,0|2,0,0]=4 999 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [0,1,0,1,0,0|0,0,0]=2 1000 B14R1.422 O=C(O)CCCCCN1CCCCC1 MCULE-8688134792 [0,1,0,1,0,0|0,0,0]=2 1001 B14R1.422 O=C(O)CCCCCN1CCOCC1 MCULE-6803434014 [0,1,0,1,0,0|1,0,0]=3 1002 B14R1.422 O=C(O)CCCCOC1CCCCO1 MCULE-9542624487 [0,1,0,1,0,0|1,0,0]=3 1003 B14R1.1252 CCCCCCC1CCCCC(=O)N1 MCULE-8020444927 [0,1,0,1,0,0|1,0,0]=3 1004 B14R1.4408 O=C1CCCCCCCCCCCN1 MCULE-1851658645 [0,1,0,1,0,0|1,0,0]=3 1005 B14R1.4408 O=C1CCCCCCCCCCCO1 MCULE-9380541113 [0,1,0,1,0,0|0,0,0]=2 1006 B14R1.4728 CCCCCCCCC1CC1C(=O)N MCULE-3980615271 [0,1,0,1,0,0|1,0,0]=3 1007 B14R1.4728 CCCCCCCCC1CC1C(=O)O MCULE-6572964179 [0,1,0,1,0,0|0,0,0]=2 1008 B14R1.4972 CC1(CCCCCCCCCCC1)O MCULE-6571841065 [0,1,0,1,0,0|1,0,1]=4 1009 B14R1.6388 O=C(O)CCCCCCCCC1CC1 MCULE-4957612029 [0,1,0,1,0,0|0,0,0]=2 1010 B14R1.468 CCCN1CCCC(C1)CCC(=O)O MCULE-7939825146 [0,1,0,1,0,0|1,0,0]=3 1011 B14R1.623 CCCC(=O)N1CCCCC1C(=O)O MCULE-3674592458 [0,1,0,1,0,0|1,0,1]=4 1012 B14R1.623 CCOC(=O)C1CCCCC1C(=O)O MCULE-6542639571 [0,1,0,1,0,0|1,0,1]=4 1013 B14R1.4960 O=C1CCCCC(=O)OCCCCO1 MCULE-1278262652 [0,1,0,1,0,0|1,0,1]=4 1014 B14R1.6452 O=C(O)CCCCCCC(=O)C1CC1 MCULE-6858805688 [0,1,0,1,0,0|0,0,1]=3 1015 B14R1.128 CC(C)CCCCCC1C=CC(=O)O1 MCULE-7180372148 [0,1,0,1,0,0|0,0,2]=4 1016 B14R1.6403 O=C(O)CCCCCC(=O)C1CCC1 MCULE-8392329452 [0,1,0,1,0,0|0,0,1]=3 1017 B14R1.14 CCCCCCCC1CCC(=O)CC1 MCULE-6035418907 [0,1,0,1,0,0|1,0,0]=3 1018 B14R1.230 CCCCCCCCC[C@H]1O[C@@H]1CO MCULE-5540109111 [0,1,0,1,0,0|0,0,2]=4 1019 B14R1.247 CC1CCCCCCCCCCC1=O MCULE-3023877204 [0,1,0,1,0,0|1,0,0]=3 1020 B14R1.247 O=C1CCCCCCCCCCC1Br MCULE-2954229808 [0,1,0,1,0,0|1,0,0]=3 1021 B14R1.247 O=C1CCCCCCCCCCC1Cl MCULE-3762267711 [0,1,0,1,0,0|1,0,0]=3 1022 B14R1.247 OC1CCCCCCCCCCC1O MCULE-2416774599 [0,1,0,1,0,0|0,0,2]=4 1023 B14R1.247 O[C@@H]1CCCCCCCCCC[C@H]1O MCULE-5428629079 [0,1,0,1,0,0|0,0,2]=4 1024 B14R1.247 O[C@H]1CCCCCCCCCC[C@@H]1O MCULE-4103242658 [0,1,0,1,0,0|0,0,2]=4 1025 B14R1.716 COC(=O)CCNCC1CCOCC1 MCULE-7992153409 [0,1,0,1,0,0|2,0,0]=4 1026 B14R1.716 COC(=O)CCNCC1CCOCC1 MCULE-8730345380 [0,1,0,1,0,0|2,0,0]=4 1027 B14R1.716 COC(=O)CCOCC1CCCNC1 MCULE-1636667689 [0,1,0,1,0,0|2,0,0]=4 1028 B14R1.716 COC(=O)CCOCC1CCCNC1 MCULE-9022240397 [0,1,0,1,0,0|2,0,0]=4 1029 B14R1.716 COC(=O)CCOCC1CCNCC1 MCULE-6144506211 [0,1,0,1,0,0|2,0,0]=4 1030 B14R1.716 COC(=O)CCOCC1CCNCC1 MCULE-8164602160 [0,1,0,1,0,0|2,0,0]=4 1031 B14R1.716 N/C(=N/O)/CCCCN1CCCCC1 MCULE-8124485202 [0,1,0,1,0,0|2,0,0]=4 1032 B14R1.716 O=C(CCl)NCCCC1CCCCC1 MCULE-8758785317 [0,1,0,1,0,0|2,0,0]=4 1033 B14R1.827 COC(=O)CCCCCCCC1CO1 MCULE-7215534488 [0,1,0,1,0,0|1,0,0]=3 1034 B14R1.845 OCC1CCCCCCCCCCC1 MCULE-2924050265 [0,1,0,1,0,0|1,0,1]=4 1035 B14R1.845 ON=C1CCCCCCCCCCC1 MCULE-6777210096 [0,1,0,1,0,0|1,0,0]=3 1036 B14R1.863 CCC1CCCCN1CCC(=O)OC MCULE-3849914557 [0,1,0,1,0,0|1,0,0]=3 1037 B14R1.7684 COC(=O)CCN1CCCCCCC1 MCULE-7632104146 [0,1,0,1,0,0|1,0,0]=3 1038 B14R1.6426 NC1(CCCCCCCCC1)C(=O)O MCULE-3848434932 [0,1,0,1,0,0|0,0,0]=2 1039 B14R1.10072 NC(CC1CCCCCCC1)C(=O)O MCULE-2199095735 [0,1,0,1,0,0|0,0,0]=2 1040 B14R1.10072 NC(CC1CCCCCCC1)C(=O)O MCULE-6725119181 [0,1,0,1,0,0|0,0,0]=2 1041 B14R1.10072 N[C@@H](CC1CCCCCCC1)C(=O)O MCULE-7565782229 [0,1,0,1,0,0|0,0,0]=2 1042 B14R1.10072 N[C@@H](CC1CCCCCCC1)C(=O)O MCULE-8225181344 [0,1,0,1,0,0|0,0,0]=2 1043 B14R1.160 CC1CCCCC1C(=O)NCC(=O)O MCULE-9422674628 [0,1,0,1,0,0|1,0,1]=4 1044 B14R1.423 O=C(O)CCC(=O)NC1CCCCC1 MCULE-5245682994 [0,1,0,1,0,0|1,0,1]=4 1045 B14R1.423 O=C(O)CCC(=O)OC1CCCCC1 MCULE-3232226766 [0,1,0,1,0,0|1,0,1]=4 1046 B14R1.423 O=C(O)CNC(=O)CC1CCCCC1 MCULE-6241886212 [0,1,0,1,0,0|1,0,1]=4 1047 B14R1.4526 O=C(O)CNC(=O)CCC1CCCC1 MCULE-6655929202 [0,1,0,1,0,0|1,0,1]=4 1048 B14R1.10371 O=C(O)CCC(=O)N1CCCCCC1 MCULE-5724348119 [0,1,0,1,0,0|1,0,1]=4 1049 B14R1.814 CC(=O)OC1CCCCC1CC(C)C MCULE-7272141740 [0,1,0,1,0,0|2,0,0]=4 1050 B14R1.814 CN(C)CC1CCCCN1CC(=O)O MCULE-3264024129 [0,1,0,1,0,0|2,0,0]=4 1051 B14R1.4522 CN(C)C1CCCCC1NCC(=O)O MCULE-7292461508 [0,1,0,1,0,0|2,0,0]=4 1052 B14R1.418 O=C(O)CCCCC(=O)C1CCCC1 MCULE-3005745030 [0,1,0,1,0,0|0,0,1]=3 1053 B14R1.677 CC1CCN(CC1)CCCCC(=O)O MCULE-1581888393 [0,1,0,1,0,0|1,0,0]=3 1054 B14R1.677 CC1CCN(CC1)CCCCC(=O)O MCULE-9114713009 [0,1,0,1,0,0|1,0,0]=3 1055 B14R1.677 NC1CCN(CC1)CCCCC(=O)O MCULE-4658483384 [0,1,0,1,0,0|1,0,0]=3 1056 B14R1.677 NC1CCN(CC1)CCCCC(=O)O MCULE-8491667825 [0,1,0,1,0,0|1,0,0]=3 1057 B14R1.13252 NC1CSC(C1N)CCCCC(=O)O MCULE-1614349861 [0,1,0,1,0,0|2,0,0]=4 1058 B14R1.13252 NC1CSC(C1N)CCCCC(=O)O MCULE-6974870952 [0,1,0,1,0,0|2,0,0]=4 1059 B14R1.13252 N[C@@H]1CS[C@@H]([C@@H]1N)CCCCC(=O)O MCULE-7333603139 [0,1,0,1,0,0|2,0,0]=4 1060 B14R1.13252 [NH3+][C@@H]1CS[C@@H]([C@@H]1[NH3+])CCCCC(=O)O MCULE-1506704138 [0,1,0,1,0,0|2,0,0]=4 1061 B14R1.3331 O=S(=O)(O)CCCNC1CCCCC1 MCULE-7620727007 [0,1,0,1,0,0|2,0,0]=4 1062 B14R1.337 CN(CC(=O)O)CC1CCCCN1C MCULE-4763381307 [0,1,0,1,0,0|2,0,0]=4 1063 B14R1.6454 CN(CCCC1CCCO1)CC(=O)O MCULE-6011889682 [0,1,0,1,0,0|2,0,0]=4 1064 B14R1.13044 NC(CC(=O)O)C1CCCCCCC1 MCULE-9308988929 [0,1,0,1,0,0|0,0,0]=2 1065 B14R2.21 O=C1CCCC(C1)C2CCCCC2 MCULE-5210776607 [0,0,0,2,0,0|1,0,0]=3 1066 B14R2.21 O=C1CCCC(C1)C2CCOCC2 MCULE-3170146152 [0,0,0,2,0,0|2,0,0]=4 1067 B14R2.23229 O=C1CCCC2(C1)CCCCCC2 MCULE-5132487689 [0,0,0,2,0,0|1,0,0]=3 1068 B14R2.19 O=C1NC(CO1)CC2CCCCC2 MCULE-2329854021 [0,0,0,2,0,0|2,0,0]=4 1069 B14R2.450 CN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O MCULE-6517056240 [0,0,0,2,0,0|1,0,0]=3 1070 B14R2.781 O=C(O)C1CC2CCCCC2CN1 MCULE-1360640855 [0,0,0,2,0,0|1,0,0]=3 1071 B14R2.781 O=C(O)C1CC2CCCCC2CN1 MCULE-9727398608 [0,0,0,2,0,0|1,0,0]=3 1072 B14R2.781 O=C(O)C1CCC2CCCCC2C1 MCULE-8769705518 [0,0,0,2,0,0|0,0,0]=2 1073 B14R2.781 O=C(O)C1CCC2CCCCC2N1 MCULE-3477027344 [0,0,0,2,0,0|1,0,0]=3 1074 B14R2.781 O=C(O)C1CCC2CCCCC2N1 MCULE-6787716601 [0,0,0,2,0,0|1,0,0]=3 1075 B14R2.781 O=C(O)C1CCC2CNCCN2C1 MCULE-4665148567 [0,0,0,2,0,0|2,0,0]=4 1076 B14R2.781 O=C(O)C1CCC2CNCCN2C1 MCULE-9576282370 [0,0,0,2,0,0|2,0,0]=4 1077 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 MCULE-3662294035 [0,0,0,2,0,0|1,0,0]=3 1078 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 MCULE-4185482156 [0,0,0,2,0,0|1,0,0]=3 1079 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 MCULE-5228568022 [0,0,0,2,0,0|1,0,0]=3 1080 B14R2.781 O=C(O)[C@@H]1CC[C@@H]2OCCN[C@H]2C1 MCULE-4687315378 [0,0,0,2,0,0|2,0,0]=4 1081 B14R2.781 O=C(O)[C@@H]1CC[C@@H]2OCCN[C@H]2C1 MCULE-4859761161 [0,0,0,2,0,0|2,0,0]=4 1082 B14R2.11451 O=C(O)C1CC2CCC1CC2CO MCULE-4809187465 [0,0,0,2,0,0|1,0,0]=3 1083 B14R2.399 [C@H]12CCCCC(=O)N[C@]1(CCN2)C MCULE-1189519135 [0,0,0,2,0,0|2,0,0]=4 1084 B14R2.2841 C1CCCCCC2OC2CCCC1 MCULE-8681869919 [0,0,0,2,0,0|1,0,1]=4 1085 B14R2.5710 [C@@H]12CCC(=O)N[C@@]1(CCCCN2)C MCULE-4150173925 [0,0,0,2,0,0|2,0,0]=4 1086 B14R2.55 O=C(O)C1CCCC12CCOCC2 MCULE-4397676381 [0,0,0,2,0,0|1,0,0]=3 1087 B14R2.55 O=C(O)C1CNCC12CCCCC2 MCULE-5270576699 [0,0,0,2,0,0|1,0,0]=3 1088 B14R2.55 O=C(O)C1CNCC12CCCCC2 MCULE-5423593208 [0,0,0,2,0,0|1,0,0]=3 1089 B14R2.55 O=C(O)C1CNCC12CCOCC2 MCULE-7837470587 [0,0,0,2,0,0|2,0,0]=4 1090 B14R2.780 O=C(O)C1CCN1C2CCCCC2 MCULE-3289973100 [0,0,0,2,0,0|1,0,0]=3 1091 B14R2.31359 O=C(Cl)N1CCC[C@@H]2[C@H]1CCCC2 MCULE-1480931103 [0,0,0,2,0,0|2,0,0]=4 1092 B14R2.31359 O=C(O)C1CCCC2C1CCCC2 MCULE-2075917209 [0,0,0,2,0,0|0,0,0]=2 1093 B14R2.31359 O=C(O)C1CCCN2C1CCCC2 MCULE-3485288102 [0,0,0,2,0,0|1,0,0]=3 1094 B14R2.31359 O=C(O)C1CCCN2C1CCCC2 MCULE-4540627960 [0,0,0,2,0,0|1,0,0]=3 1095 B14R2.31359 O=C(O)C1CCCN2[C@@H]1CCCC2 MCULE-4298977360 [0,0,0,2,0,0|1,0,0]=3 1096 B14R2.31359 O=C(O)C1CCCN2[C@@H]1CCCC2 MCULE-6087921656 [0,0,0,2,0,0|1,0,0]=3 1097 B14R2.31359 [C@H]12CCCCN1CCC[C@H]2C(=O)O MCULE-8169647140 [0,0,0,2,0,0|1,0,0]=3 1098 B14R2.31359 [C@H]12CCCCN1CCC[C@H]2C(=O)O MCULE-8914934614 [0,0,0,2,0,0|1,0,0]=3 1099 B14R2.31359 [C@H]12CCCCN1CCC[C@H]2C(=O)O MCULE-9057941662 [0,0,0,2,0,0|1,0,0]=3 1100 B14R2.31359 [C@H]12CCCCN1CCC[C@H]2C(=O)O MCULE-9634783841 [0,0,0,2,0,0|1,0,0]=3 1101 B14R2.54 O=C(O)C1CCCCC12OCCO2 MCULE-1554809141 [0,0,0,2,0,0|2,0,0]=4 1102 B14R2.54 O=C(O)C1NCCOC12CCCC2 MCULE-6275660451 [0,0,0,2,0,0|2,0,0]=4 1103 B14R2.54 O=C(O)C1OCCOC12CCCC2 MCULE-2945479451 [0,0,0,2,0,0|2,0,0]=4 1104 B14R2.763 O=C(O)C1NCCC1C2CCCO2 MCULE-4382289811 [0,0,0,2,0,0|2,0,0]=4 1105 B14R2.763 O=C(O)C1NCCC1C2CCCO2 MCULE-6793558875 [0,0,0,2,0,0|2,0,0]=4 1106 B14R2.763 O=C(O)C1NCCC1N2CCCC2 MCULE-8431291348 [0,0,0,2,0,0|2,0,0]=4 1107 B14R2.763 O=C(O)[C@@H]1CNC[C@H]1C2CCCC2 MCULE-1002327864 [0,0,0,2,0,0|1,0,0]=3 1108 B14R2.30919 O=C(O)CC1C2CCCC1CNC2 MCULE-3670781070 [0,0,0,2,0,0|1,0,0]=3 1109 B14R2.30919 O=C(O)CC1C2CCCC1CNC2 MCULE-4798457731 [0,0,0,2,0,0|1,0,0]=3 1110 B14R2.9513 O=C(O)C1CNCCN1CC2CC2 MCULE-5917490567 [0,0,0,2,0,0|2,0,0]=4 1111 B14R2.9513 O=C(O)C1CNCCN1CC2CC2 MCULE-8001995270 [0,0,0,2,0,0|2,0,0]=4 1112 B14R2.849 CCCCN1C2CCC1CC(=O)C2 MCULE-6300700164 [0,0,0,2,0,0|2,0,0]=4