0 B12R0.5 BrCCCCCCCCCCCBr MCULE-7714737833 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.5 C#CCCCCCCCCCCC MCULE-4966581415 [0,0,0,0,0,0|2,0,1]=3 2 B12R0.5 C#CCCCCCCCCCCO MCULE-3338769733 [0,0,0,0,0,0|3,0,1]=4 3 B12R0.5 C=CCCCCCCCCCC#N MCULE-4908683971 [0,0,0,0,0,0|3,0,1]=4 4 B12R0.5 C=CCCCCCCCCCC=C MCULE-6862008178 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.5 C=CCCCCCCCCCC=O MCULE-4798960934 [0,0,0,0,0,0|1,0,2]=3 6 B12R0.5 C=CCCCCCCCCCCBr MCULE-1450832602 [0,0,0,0,0,0|3,0,0]=3 7 B12R0.5 C=CCCCCCCCCCCC MCULE-7790972998 [0,0,0,0,0,0|2,0,0]=2 8 B12R0.5 C=CCCCCCCCCCCO MCULE-9436785815 [0,0,0,0,0,0|3,0,0]=3 9 B12R0.5 C=CCOCCCCCCCCO MCULE-5655873802 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.5 C=COCCCCCCCCCC MCULE-9853638067 [0,0,0,0,0,0|1,0,0]=1 11 B12R0.5 C=CSCCCCCCCCCC MCULE-4125685210 [0,0,0,0,0,0|1,1,0]=2 12 B12R0.5 CCCCCCC/C=C/C=C/C=O MCULE-2842287177 [0,0,0,0,0,0|1,0,3]=4 13 B12R0.5 CCCCCCCC=CC=CC=O MCULE-2297529084 [0,0,0,0,0,0|1,0,3]=4 14 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [0,0,0,0,0,0|1,0,1]=2 15 B12R0.5 CCCCCCCCC/C=C/CO MCULE-8437286382 [0,0,0,0,0,0|1,0,3]=4 16 B12R0.5 CCCCCCCCCC#CCO MCULE-3667812839 [0,0,0,0,0,0|1,0,3]=4 17 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [0,0,0,0,0,0|2,0,0]=2 18 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [0,0,0,0,0,0|1,0,1]=2 19 B12R0.5 CCCCCCCCCC=CCO MCULE-9263380318 [0,0,0,0,0,0|1,0,3]=4 20 B12R0.5 CCCCCCCCCCCC#N MCULE-4898299264 [0,0,0,0,0,0|2,0,1]=3 21 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [0,0,0,0,0,0|1,0,0]=1 22 B12R0.5 CCCCCCCCCCCCBr MCULE-2442495006 [0,0,0,0,0,0|2,0,1]=3 23 B12R0.5 CCCCCCCCCCCCC MCULE-7749861366 [0,0,0,0,0,0|2,0,1]=3 24 B12R0.5 CCCCCCCCCCCCCl MCULE-6025385532 [0,0,0,0,0,0|2,0,1]=3 25 B12R0.5 CCCCCCCCCCCCF MCULE-3563531940 [0,0,0,0,0,0|2,0,1]=3 26 B12R0.5 CCCCCCCCCCCCI MCULE-6449418786 [0,0,0,0,0,0|2,0,1]=3 27 B12R0.5 CCCCCCCCCCCCN MCULE-1282419209 [0,0,0,0,0,0|2,0,1]=3 28 B12R0.5 CCCCCCCCCCCCN MCULE-1312431857 [0,0,0,0,0,0|2,0,1]=3 29 B12R0.5 CCCCCCCCCCCCN MCULE-3936839656 [0,0,0,0,0,0|2,0,1]=3 30 B12R0.5 CCCCCCCCCCCCN MCULE-8497998841 [0,0,0,0,0,0|2,0,1]=3 31 B12R0.5 CCCCCCCCCCCCN MCULE-9101484482 [0,0,0,0,0,0|2,0,1]=3 32 B12R0.5 CCCCCCCCCCCCO MCULE-3423087499 [0,0,0,0,0,0|1,0,2]=3 33 B12R0.5 CCCCCCCCCCCCO MCULE-9381688904 [0,0,0,0,0,0|1,0,2]=3 34 B12R0.5 CCCCCCCCCCCCS MCULE-8388213802 [0,0,0,0,0,0|1,1,1]=3 35 B12R0.5 CCCCCCCCCCCNC MCULE-4232799137 [0,0,0,0,0,0|3,0,0]=3 36 B12R0.5 CCCCCCCCCCCNC MCULE-9324463288 [0,0,0,0,0,0|3,0,0]=3 37 B12R0.5 CCCCCCCCCCN=C=S MCULE-4799395674 [0,0,0,0,0,0|1,1,1]=3 38 B12R0.5 CCCCCCCCCCN=N#N MCULE-3752897707 [0,0,0,0,0,0|3,0,0]=3 39 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [0,0,0,0,0,0|1,0,0]=1 40 B12R0.5 CCCCCCCCCCSC#N MCULE-1909270846 [0,0,0,0,0,0|1,1,1]=3 41 B12R0.5 CCCCCCCCCCSCC MCULE-4046728399 [0,0,0,0,0,0|1,1,1]=3 42 B12R0.5 CCCCCCCCCSCCO MCULE-1890346670 [0,0,0,0,0,0|2,0,2]=4 43 B12R0.5 CCCCCCCCNCCC#N MCULE-1909140913 [0,0,0,0,0,0|3,0,1]=4 44 B12R0.5 CCCCCCCCNCCCC MCULE-6370859761 [0,0,0,0,0,0|3,0,1]=4 45 B12R0.5 CCCCCCCCNCCCN MCULE-1576630780 [0,0,0,0,0,0|3,0,1]=4 46 B12R0.5 CCCCCCCCNCCOC MCULE-9794668613 [0,0,0,0,0,0|4,0,0]=4 47 B12R0.5 CCCCCCCCOCCCN MCULE-3428959730 [0,0,0,0,0,0|3,0,1]=4 48 B12R0.5 CCCCCCCCOCCNC MCULE-3720493532 [0,0,0,0,0,0|4,0,0]=4 49 B12R0.5 CCCCCCCCOCCNC MCULE-6027502699 [0,0,0,0,0,0|4,0,0]=4 50 B12R0.5 CCCCCCCCSCCNC MCULE-1591454214 [0,0,0,0,0,0|4,0,0]=4 51 B12R0.5 CCCCCCCCSCCNC MCULE-9041733565 [0,0,0,0,0,0|4,0,0]=4 52 B12R0.5 CCCCCCCNCCCNC MCULE-3143160534 [0,0,0,0,0,0|4,0,0]=4 53 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [0,0,0,0,0,0|2,0,0]=2 54 B12R0.5 CCCCCCCOCCCCO MCULE-4232162406 [0,0,0,0,0,0|2,0,2]=4 55 B12R0.5 CCCCCCNCCCCCC MCULE-3670409724 [0,0,0,0,0,0|3,0,1]=4 56 B12R0.5 CCCCCCNCCCCCC MCULE-4867029659 [0,0,0,0,0,0|3,0,1]=4 57 B12R0.5 CCCCCCNCCCCCC MCULE-9932038203 [0,0,0,0,0,0|3,0,1]=4 58 B12R0.5 CCCCCCOCCCCCC MCULE-3976538682 [0,0,0,0,0,0|3,0,1]=4 59 B12R0.5 CCCCCCSCCCCCC MCULE-2928486782 [0,0,0,0,0,0|3,0,1]=4 60 B12R0.5 CCCCNCCOCCOCC MCULE-4895739563 [0,0,0,0,0,0|3,0,1]=4 61 B12R0.5 CCCCOCCOCCOCC MCULE-6182503793 [0,0,0,0,0,0|3,0,1]=4 62 B12R0.5 CCCOCCCCCCCCO MCULE-6159515912 [0,0,0,0,0,0|2,0,2]=4 63 B12R0.5 CCOCCCCCCCCCBr MCULE-4453801533 [0,0,0,0,0,0|2,0,1]=3 64 B12R0.5 CCOCCCCCCCCCO MCULE-6343777651 [0,0,0,0,0,0|2,0,1]=3 65 B12R0.5 ICCCCCCCCCCCI MCULE-1394798562 [0,0,0,0,0,0|3,0,1]=4 66 B12R0.5 N#N=NCCCCCCCCCN MCULE-3364636937 [0,0,0,0,0,0|4,0,0]=4 67 B12R0.5 N#N=NCCCCCCCCCO MCULE-6954750928 [0,0,0,0,0,0|4,0,0]=4 68 B12R0.5 NCCCCCCCCCCCN MCULE-2996124008 [0,0,0,0,0,0|3,0,1]=4 69 B12R0.5 NCCCCCCCCCCCO MCULE-5135515993 [0,0,0,0,0,0|2,0,2]=4 70 B12R0.5 NCCCCCCCCCCCS MCULE-2278372977 [0,0,0,0,0,0|2,1,1]=4 71 B12R0.5 NCCCCCCCCCCCS MCULE-7023358275 [0,0,0,0,0,0|2,1,1]=4 72 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [0,0,0,0,0,0|2,0,0]=2 73 B12R0.5 OCCCCCCCCCCCBr MCULE-5881088914 [0,0,0,0,0,0|2,0,2]=4 74 B12R0.5 OCCCCCCCCCCCO MCULE-6987509130 [0,0,0,0,0,0|2,0,2]=4 75 B12R0.5 OCCCCCCCCCCCS MCULE-4791107478 [0,0,0,0,0,0|2,0,2]=4 76 B12R0.5 SCCCCCCCCCCCBr MCULE-7291453493 [0,0,0,0,0,0|2,1,1]=4 77 B12R0.5 [NH2+](CCCC)CCCCCCCC MCULE-9696707679 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.3 BrCCCCCCCCCCBr MCULE-6596890795 [1,0,0,0,0,0|2,0,1]=4 79 B11R0.3 C#CCCCCCCCCCBr MCULE-7590250790 [1,0,0,0,0,0|2,0,1]=4 80 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [1,0,0,0,0,0|1,0,1]=3 81 B11R0.3 C#CCCCCCCCCCO MCULE-5387959646 [1,0,0,0,0,0|2,0,1]=4 82 B11R0.3 C=CCCCCCCCCC=C MCULE-6018522624 [1,0,0,0,0,0|1,0,2]=4 83 B11R0.3 C=CCCCCCCCCC=O MCULE-2748563286 [1,0,0,0,0,0|0,0,2]=3 84 B11R0.3 C=CCCCCCCCCCBr MCULE-3292244728 [1,0,0,0,0,0|2,0,0]=3 85 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [1,0,0,0,0,0|1,0,0]=2 86 B11R0.3 C=CCCCCCCCCCCl MCULE-9014492464 [1,0,0,0,0,0|2,0,0]=3 87 B11R0.3 C=CCCCCCCCCCN MCULE-7839357621 [1,0,0,0,0,0|2,0,0]=3 88 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [1,0,0,0,0,0|2,0,0]=3 89 B11R0.3 C=CCOCCCCCCCC MCULE-6446691340 [1,0,0,0,0,0|2,0,0]=3 90 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [1,0,0,0,0,0|0,0,2]=3 91 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [1,0,0,0,0,0|0,0,2]=3 92 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [1,0,0,0,0,0|1,0,1]=3 93 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [1,0,0,0,0,0|0,0,0]=1 94 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [1,0,0,0,0,0|1,0,1]=3 95 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [1,0,0,0,0,0|1,0,1]=3 96 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [1,0,0,0,0,0|1,0,1]=3 97 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [1,0,0,0,0,0|1,0,1]=3 98 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [1,0,0,0,0,0|1,0,1]=3 99 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [1,0,0,0,0,0|0,0,2]=3 100 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [1,0,0,0,0,0|0,1,1]=3 101 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [1,0,0,0,0,0|1,0,1]=3 102 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [1,0,0,0,0,0|1,0,1]=3 103 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [1,0,0,0,0,0|0,0,1]=2 104 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [1,0,0,0,0,0|1,0,0]=2 105 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [1,0,0,0,0,0|1,0,0]=2 106 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [1,0,0,0,0,0|0,1,1]=3 107 B11R0.3 CCCCCCCCCN=C=S MCULE-1076001046 [1,0,0,0,0,0|1,1,1]=4 108 B11R0.3 CCCCCCCCCN=N#N MCULE-3134047425 [1,0,0,0,0,0|3,0,0]=4 109 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [1,0,0,0,0,0|2,0,1]=4 110 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [1,0,0,0,0,0|0,0,0]=1 111 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [1,0,0,0,0,0|1,1,1]=4 112 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [1,0,0,0,0,0|2,0,1]=4 113 B11R0.3 CCCCCCCCNCCN MCULE-7559905889 [1,0,0,0,0,0|2,0,1]=4 114 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [1,0,0,0,0,0|1,0,2]=4 115 B11R0.3 CCCCCCCCNOCC MCULE-3650695826 [1,0,0,0,0,0|2,0,1]=4 116 B11R0.3 CCCCCCCCNOCC MCULE-5548504565 [1,0,0,0,0,0|2,0,1]=4 117 B11R0.3 CCCCCCCCOCCCl MCULE-7562352297 [1,0,0,0,0,0|2,0,1]=4 118 B11R0.3 CCCCCCCCOCCN MCULE-8451506183 [1,0,0,0,0,0|2,0,1]=4 119 B11R0.3 CCCCCCCCOCCN MCULE-9814984146 [1,0,0,0,0,0|2,0,1]=4 120 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [1,0,0,0,0,0|1,0,2]=4 121 B11R0.3 CCCCCCCCSCC#N MCULE-7369043498 [1,0,0,0,0,0|2,0,1]=4 122 B11R0.3 CCCCCCCCSCCN MCULE-5010227243 [1,0,0,0,0,0|2,0,1]=4 123 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [1,0,0,0,0,0|1,0,2]=4 124 B11R0.3 CCCCCCCCSCCS MCULE-1947094413 [1,0,0,0,0,0|1,1,1]=4 125 B11R0.3 CCCCCCCNCCC#N MCULE-6001009722 [1,0,0,0,0,0|2,0,1]=4 126 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [1,0,0,0,0,0|2,0,1]=4 127 B11R0.3 CCCCCCCNCCCN MCULE-8536785750 [1,0,0,0,0,0|2,0,1]=4 128 B11R0.3 CCCCCCCNCCCO MCULE-1187615586 [1,0,0,0,0,0|1,0,2]=4 129 B11R0.3 CCCCCCNCCCOC MCULE-6742672078 [1,0,0,0,0,0|1,0,1]=3 130 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-2636909425 [1,0,0,0,0,0|2,0,1]=4 131 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-7512641705 [1,0,0,0,0,0|2,0,1]=4 132 B11R0.3 CCCCOCCOCCOC MCULE-8111177194 [1,0,0,0,0,0|2,0,1]=4 133 B11R0.3 CCNCCCNCCCOC MCULE-1166620245 [1,0,0,0,0,0|2,0,1]=4 134 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [1,0,0,0,0,0|1,0,2]=4 135 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [1,0,0,0,0,0|2,0,1]=4 136 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [1,0,0,0,0,0|1,0,0]=2 137 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [1,0,0,0,0,0|1,0,1]=3 138 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [1,0,0,0,0,0|1,0,1]=3 139 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [1,0,0,0,0,0|1,0,1]=3 140 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [1,0,0,0,0,0|1,0,1]=3 141 B11R0.3 COCCOCCOCCC=O MCULE-7456622874 [1,0,0,0,0,0|3,0,0]=4 142 B11R0.3 ClCCCCCCCCCCCl MCULE-1936281020 [1,0,0,0,0,0|2,0,1]=4 143 B11R0.3 FCCCCCCCCCCBr MCULE-2498226293 [1,0,0,0,0,0|2,0,1]=4 144 B11R0.3 FCCCCCCCCCCCl MCULE-6086093448 [1,0,0,0,0,0|2,0,1]=4 145 B11R0.3 FCCCCCCCCCCF MCULE-7992467849 [1,0,0,0,0,0|2,0,1]=4 146 B11R0.3 ICCCCCCCCCCI MCULE-9838407052 [1,0,0,0,0,0|2,0,1]=4 147 B11R0.3 NCCCCCCCCCCBr MCULE-2910198089 [1,0,0,0,0,0|2,0,1]=4 148 B11R0.3 NCCCCCCCCCCBr MCULE-9466370190 [1,0,0,0,0,0|2,0,1]=4 149 B11R0.3 NCCCCCCCCCCN MCULE-8635244158 [1,0,0,0,0,0|2,0,1]=4 150 B11R0.3 NCCCCCCCCCCO MCULE-6627355175 [1,0,0,0,0,0|1,0,2]=4 151 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [1,0,0,0,0,0|1,0,0]=2 152 B11R0.3 OCCCCCCCCCCBr MCULE-9238949531 [1,0,0,0,0,0|1,0,2]=4 153 B11R0.3 OCCCCCCCCCCCl MCULE-7857761317 [1,0,0,0,0,0|1,0,2]=4 154 B11R0.3 OCCCCCCCCCCF MCULE-6916719760 [1,0,0,0,0,0|1,0,2]=4 155 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [1,0,0,0,0,0|1,0,2]=4 156 B11R0.3 SCCCCCCCCCCS MCULE-7368208629 [1,0,0,0,0,0|1,1,1]=4 157 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [1,0,0,0,0,0|2,0,1]=4 158 B13R0.2 C=COC(=O)CCCCCCCCC MCULE-6857715884 [0,1,0,0,0,0|1,0,1]=3 159 B13R0.2 CCCCCCCCCC(=O)OCC MCULE-9201389917 [0,1,0,0,0,0|1,0,2]=4 160 B13R0.2 CCCCCCCCCC(=O)OCCl MCULE-4204116817 [0,1,0,0,0,0|1,0,2]=4 161 B13R0.2 CCCCCCCCCC(=O)OCI MCULE-3516770567 [0,1,0,0,0,0|1,0,2]=4 162 B13R0.2 CCCCCCCCCC(C)CCBr MCULE-9823733593 [0,1,0,0,0,0|2,0,1]=4 163 B13R0.2 CCCCCCCCCC(O)CCO MCULE-6275560025 [0,1,0,0,0,0|1,0,2]=4 164 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,1,0,0,0,0|1,0,2]=4 165 B13R0.54 C(=CCCCCOC(=O)C)CCCC MCULE-1642216097 [0,1,0,0,0,0|0,0,2]=3 166 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [0,1,0,0,0,0|2,0,0]=3 167 B13R0.54 C=CCCCCCCCCCC(=C)C MCULE-9813642699 [0,1,0,0,0,0|2,0,1]=4 168 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [0,1,0,0,0,0|1,0,2]=4 169 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [0,1,0,0,0,0|1,0,2]=4 170 B13R0.54 C=CCCCCCCCCOC(=O)C MCULE-3987813819 [0,1,0,0,0,0|0,0,2]=3 171 B13R0.54 CC(C)CCCCCCCCCCO MCULE-3770739954 [0,1,0,0,0,0|1,0,2]=4 172 B13R0.54 CCCC/C=C\CCCCOC(=O)C MCULE-9938541488 [0,1,0,0,0,0|0,0,2]=3 173 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [0,1,0,0,0,0|1,0,2]=4 174 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [0,1,0,0,0,0|1,0,2]=4 175 B13R0.54 CCCCCCCC=CCOC(=O)C MCULE-7547263092 [0,1,0,0,0,0|0,0,2]=3 176 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [0,1,0,0,0,0|1,0,1]=3 177 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [0,1,0,0,0,0|1,0,1]=3 178 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [0,1,0,0,0,0|2,0,0]=3 179 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [0,1,0,0,0,0|1,0,0]=2 180 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [0,1,0,0,0,0|1,0,0]=2 181 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [0,1,0,0,0,0|1,0,0]=2 182 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,1,0,0,0,0|1,0,0]=2 183 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [0,1,0,0,0,0|1,0,0]=2 184 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [0,1,0,0,0,0|1,0,0]=2 185 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [0,1,0,0,0,0|1,0,0]=2 186 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [0,1,0,0,0,0|1,0,0]=2 187 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [0,1,0,0,0,0|2,0,1]=4 188 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [0,1,0,0,0,0|1,0,2]=4 189 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [0,1,0,0,0,0|2,0,0]=3 190 B13R0.54 CCCCCCCCCCCN(C)C MCULE-5478138058 [0,1,0,0,0,0|3,0,0]=4 191 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,1,0,0,0,0|1,0,0]=2 192 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [0,1,0,0,0,0|1,1,0]=3 193 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [0,1,0,0,0,0|0,0,0]=1 194 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [0,1,0,0,0,0|0,0,0]=1 195 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8121799109 [0,1,0,0,0,0|0,1,0]=2 196 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8750716716 [0,1,0,0,0,0|0,1,0]=2 197 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,1,0,0,0,0|2,0,0]=3 198 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [0,1,0,0,0,0|2,0,0]=3 199 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,1,0,0,0,0|2,0,0]=3 200 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [0,1,0,0,0,0|2,0,0]=3 201 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,1,0,0,0,0|2,0,0]=3 202 B13R0.54 CCCCOCCOCCOC(=O)C MCULE-7207932009 [0,1,0,0,0,0|2,0,0]=3 203 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,1,0,0,0,0|2,0,0]=3 204 B13R0.54 COCCOCCOCCOC(=O)C MCULE-2905023128 [0,1,0,0,0,0|3,0,0]=4 205 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [0,1,0,0,0,0|2,0,0]=3 206 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,1,0,0,0,0|2,0,0]=3 207 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [0,1,0,0,0,0|2,0,0]=3 208 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [0,1,0,0,0,0|2,0,0]=3 209 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,1,0,0,0,0|2,0,0]=3 210 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,1,0,0,0,0|2,0,0]=3 211 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,1,0,0,0,0|2,0,0]=3 212 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,1,0,0,0,0|2,0,0]=3 213 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,1,0,0,0,0|3,0,0]=4 214 B13R0.54 O=N(=O)CCCCCCCCCCBr MCULE-8717758522 [0,1,0,0,0,0|3,0,0]=4 215 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [0,1,0,0,0,0|3,0,0]=4 216 B13R0.66 CCCCCCCCC(O)CCCC MCULE-2796916892 [0,1,0,0,0,0|2,0,1]=4 217 B13R0.147 C=CC(=O)OCCCCCCCCC MCULE-7661811427 [0,1,0,0,0,0|3,0,0]=4 218 B13R0.147 CCCCCCCCCCC(=N)NO MCULE-8351830126 [0,1,0,0,0,0|2,0,1]=4 219 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [0,1,0,0,0,0|3,0,0]=4 220 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,1,0,0,0,0|3,0,0]=4 221 B13R0.147 CCCCCCCCCCC(Br)CBr MCULE-9794028276 [0,1,0,0,0,0|2,0,1]=4 222 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [0,1,0,0,0,0|1,0,0]=2 223 B13R0.147 CCCCCCCCCCC(C)CO MCULE-5502474074 [0,1,0,0,0,0|1,0,2]=4 224 B13R0.147 CCCCCCCCCCC(Cl)CCl MCULE-2606330649 [0,1,0,0,0,0|2,0,1]=4 225 B13R0.147 CCCCCCCCCCC(O)CN MCULE-5193471557 [0,1,0,0,0,0|2,0,1]=4 226 B13R0.147 CCCCCCCCCCC(O)CO MCULE-2615675340 [0,1,0,0,0,0|1,0,2]=4 227 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-5249425084 [0,1,0,0,0,0|1,0,2]=4 228 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-6389413958 [0,1,0,0,0,0|1,0,2]=4 229 B13R0.147 CCCCCCCCCC[C@@H](O)CO MCULE-6042369532 [0,1,0,0,0,0|1,0,2]=4 230 B13R0.147 CCCCCCCCCC[C@H](O)CO MCULE-1604714068 [0,1,0,0,0,0|1,0,2]=4 231 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [0,1,0,0,0,0|2,0,1]=4 232 B13R0.165 CCCCCCC(C)CCCCCC MCULE-2236189519 [0,1,0,0,0,0|2,0,1]=4 233 B13R0.165 CCCCCCC(N)CCCCCC MCULE-2802579601 [0,1,0,0,0,0|2,0,1]=4 234 B13R0.165 CCCCCCC(O)CCCCCC MCULE-2797114957 [0,1,0,0,0,0|2,0,1]=4 235 B13R0.336 BrCCCCCCCCCCCCBr MCULE-6672891675 [0,1,0,0,0,0|2,0,1]=4 236 B13R0.336 C#CCCCCCCCCCCCC MCULE-4146985591 [0,1,0,0,0,0|2,0,1]=4 237 B13R0.336 C#CCCCCCCCCCCCO MCULE-9314358664 [0,1,0,0,0,0|2,0,1]=4 238 B13R0.336 C=CCCCCCCCCCCC=C MCULE-5370372946 [0,1,0,0,0,0|2,0,1]=4 239 B13R0.336 C=CCCCCCCCCCCCBr MCULE-3110147791 [0,1,0,0,0,0|2,0,0]=3 240 B13R0.336 C=CCCCCCCCCCCCC MCULE-5148675782 [0,1,0,0,0,0|2,0,0]=3 241 B13R0.336 C=CCCCCCCCCCCCO MCULE-6006083957 [0,1,0,0,0,0|2,0,0]=3 242 B13R0.336 C=CCSCCCCCCCCCC MCULE-6078028682 [0,1,0,0,0,0|1,1,0]=3 243 B13R0.336 CCCCCCCCCCC=CC#N MCULE-5311798650 [0,1,0,0,0,0|2,0,0]=3 244 B13R0.336 CCCCCCCCCCC=CCO MCULE-7248316175 [0,1,0,0,0,0|1,0,1]=3 245 B13R0.336 CCCCCCCCCCCCC#N MCULE-2240447839 [0,1,0,0,0,0|2,0,1]=4 246 B13R0.336 CCCCCCCCCCCCC=O MCULE-6267230462 [0,1,0,0,0,0|1,0,0]=2 247 B13R0.336 CCCCCCCCCCCCCBr MCULE-4920949706 [0,1,0,0,0,0|2,0,1]=4 248 B13R0.336 CCCCCCCCCCCCCC MCULE-7442374993 [0,1,0,0,0,0|2,0,1]=4 249 B13R0.336 CCCCCCCCCCCCCCl MCULE-5597677663 [0,1,0,0,0,0|2,0,1]=4 250 B13R0.336 CCCCCCCCCCCCCI MCULE-8848884635 [0,1,0,0,0,0|2,0,1]=4 251 B13R0.336 CCCCCCCCCCCCCN MCULE-1771591728 [0,1,0,0,0,0|2,0,1]=4 252 B13R0.336 CCCCCCCCCCCCCO MCULE-4385103550 [0,1,0,0,0,0|1,0,2]=4 253 B13R0.336 CCCCCCCCCCCCNC MCULE-6157278006 [0,1,0,0,0,0|2,0,1]=4 254 B13R0.336 CCCCCCCCCCCCON MCULE-8050164267 [0,1,0,0,0,0|1,0,2]=4 255 B13R0.336 CCCCCCCCCCCCSC MCULE-8837710331 [0,1,0,0,0,0|1,1,1]=4 256 B13R0.336 CCCCCCCCCCCSCC MCULE-7247079771 [0,1,0,0,0,0|1,1,1]=4 257 B13R0.336 CCCCCCCCCCNCCC MCULE-5779059384 [0,1,0,0,0,0|2,0,1]=4 258 B13R0.336 CCCCCCCCCCNCCO MCULE-6579629969 [0,1,0,0,0,0|1,0,2]=4 259 B13R0.336 CCCCCCCCCCOCCCl MCULE-1526089088 [0,1,0,0,0,0|1,0,1]=3 260 B13R0.336 CCCCCCCCCCOCCO MCULE-4975665756 [0,1,0,0,0,0|0,0,2]=3 261 B13R0.336 CCCCCCCCCCSCCO MCULE-4627647142 [0,1,0,0,0,0|0,1,2]=4 262 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-2529658193 [0,1,0,0,0,0|2,0,1]=4 263 B13R0.336 CCCCCCCCCC[NH2+]CCCl MCULE-5824513113 [0,1,0,0,0,0|2,0,1]=4 264 B13R0.336 CCCCCCCCCNCCC#N MCULE-7229403210 [0,1,0,0,0,0|2,0,1]=4 265 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3004462204 [0,1,0,0,0,0|2,0,1]=4 266 B13R0.336 CCCCCCCCC[NH2+]CCCC MCULE-3338948197 [0,1,0,0,0,0|2,0,1]=4 267 B13R0.336 CCCCCCCCNCCOCC MCULE-6476025295 [0,1,0,0,0,0|1,0,1]=3 268 B13R0.336 CCCCCCCC[NH2+]CCOCC MCULE-4163142812 [0,1,0,0,0,0|1,0,1]=3 269 B13R0.336 CCCCCCCNCCCNCC MCULE-4051699159 [0,1,0,0,0,0|2,0,1]=4 270 B13R0.336 CCCCCCCOCCOCCCl MCULE-7165053997 [0,1,0,0,0,0|2,0,1]=4 271 B13R0.336 CCCCCCCSCCOCCO MCULE-9037054254 [0,1,0,0,0,0|1,0,2]=4 272 B13R0.336 CCCCCCNCCCCCCN MCULE-6843159625 [0,1,0,0,0,0|2,0,1]=4 273 B13R0.336 ClCCCCCCCCCCCCCl MCULE-9606409213 [0,1,0,0,0,0|2,0,1]=4 274 B13R0.336 N#N=NCCCCCCCCCCN MCULE-1994034050 [0,1,0,0,0,0|3,0,0]=4 275 B13R0.336 N#N=NCCCCCCCCCCO MCULE-1106977345 [0,1,0,0,0,0|3,0,0]=4 276 B13R0.336 NCCCCCCCCCCCCBr MCULE-3944006044 [0,1,0,0,0,0|2,0,1]=4 277 B13R0.336 NCCCCCCCCCCCCBr MCULE-9552866350 [0,1,0,0,0,0|2,0,1]=4 278 B13R0.336 NCCCCCCCCCCCCN MCULE-7545047614 [0,1,0,0,0,0|2,0,1]=4 279 B13R0.336 NCCCCCCCCCCCCO MCULE-2914976551 [0,1,0,0,0,0|1,0,2]=4 280 B13R0.336 O=CCCCCCCCCCCC=O MCULE-9426216050 [0,1,0,0,0,0|1,0,1]=3 281 B13R0.336 O=CCCCCCCCCCCCBr MCULE-4256275371 [0,1,0,0,0,0|1,0,0]=2 282 B13R0.336 OCCCCCCCCCCCCBr MCULE-1748500310 [0,1,0,0,0,0|1,0,2]=4 283 B13R0.336 OCCCCCCCCCCCCO MCULE-7189041510 [0,1,0,0,0,0|1,0,2]=4 284 B13R1.28 CCCCCCCC1CCCCC1 MCULE-5431487347 [0,0,0,1,0,0|2,0,1]=4 285 B13R1.28 CCCCCNCC1CCOCC1 MCULE-6543779177 [0,0,0,1,0,0|2,0,1]=4 286 B13R1.137 CCCCCCC1CCCC1=NO MCULE-2071942896 [0,0,0,1,0,0|2,0,1]=4 287 B13R1.207 CCOC1CCCCCCC1NC MCULE-2927737246 [0,0,0,1,0,0|2,0,1]=4 288 B13R1.225 CCNC1CCCCCC1OCC MCULE-2650007549 [0,0,0,1,0,0|2,0,1]=4 289 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [0,0,0,1,0,0|2,0,0]=3 290 B13R1.279 NC1CCCCCCCCCCC1 MCULE-2290888255 [0,0,0,1,0,0|2,0,1]=4 291 B13R1.279 NC1CCCCCCCCCCC1 MCULE-4286699290 [0,0,0,1,0,0|2,0,1]=4 292 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [0,0,0,1,0,0|1,0,0]=2 293 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [0,0,0,1,0,0|1,0,0]=2 294 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,0,0,1,0,0|0,0,0]=1 295 B13R1.279 OC1CCCCCCCCCCC1 MCULE-4246723921 [0,0,0,1,0,0|1,0,2]=4 296 B13R1.279 SC1CCCCCCCCCCC1 MCULE-1071128546 [0,0,0,1,0,0|1,1,1]=4 297 B13R1.555 CCCCCCC1CCCCC1=O MCULE-7562924636 [0,0,0,1,0,0|1,0,0]=2 298 B13R1.654 CCCCCCCC1CCCC1=O MCULE-6699941490 [0,0,0,1,0,0|1,0,0]=2 299 B13R1.654 NCCCCCCN1CCCC1=O MCULE-3326150174 [0,0,0,1,0,0|3,0,0]=4 300 B13R1.659 BrCCCCCCCCCC1CC1 MCULE-7543642317 [0,0,0,1,0,0|2,0,1]=4 301 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [0,0,0,1,0,0|1,0,2]=4 302 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [0,0,0,1,0,0|1,0,2]=4 303 B13R1.1887 CCCCCCC1CCCCCN1 MCULE-6689022953 [0,0,0,1,0,0|2,0,1]=4 304 B13R1.2883 C1CCCCCCNCCCCC1 MCULE-9792674396 [0,0,0,1,0,0|2,0,1]=4 305 B10R0.71 BrCCCCCCCCCBr MCULE-3406292941 [2,0,0,0,0,0|2,0,0]=4 306 B10R0.71 C#CCCCCCCCCC MCULE-3352869074 [2,0,0,0,0,0|0,0,2]=4 307 B10R0.71 C#CCCCCCCCCO MCULE-1465013673 [2,0,0,0,0,0|0,0,2]=4 308 B10R0.71 C(=CCCCCO)CCCC MCULE-5192933185 [2,0,0,0,0,0|0,0,2]=4 309 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [2,0,0,0,0,0|0,0,2]=4 310 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [2,0,0,0,0,0|1,0,1]=4 311 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [2,0,0,0,0,0|0,0,1]=3 312 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [2,0,0,0,0,0|1,0,1]=4 313 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [2,0,0,0,0,0|1,0,1]=4 314 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [2,0,0,0,0,0|1,0,1]=4 315 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [2,0,0,0,0,0|0,0,2]=4 316 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [2,0,0,0,0,0|1,0,1]=4 317 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [2,0,0,0,0,0|1,0,0]=3 318 B10R0.71 CCCC/C=C/CCCCO MCULE-8537897542 [2,0,0,0,0,0|0,0,2]=4 319 B10R0.71 CCCC/C=C\CCCCO MCULE-8382129018 [2,0,0,0,0,0|0,0,2]=4 320 B10R0.71 CCCCC#CCCCCO MCULE-2516123124 [2,0,0,0,0,0|0,0,2]=4 321 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [2,0,0,0,0,0|0,0,2]=4 322 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [2,0,0,0,0,0|0,0,2]=4 323 B10R0.71 CCCCC/C=C\CCCO MCULE-5673742797 [2,0,0,0,0,0|0,0,2]=4 324 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [2,0,0,0,0,0|0,0,2]=4 325 B10R0.71 CCCCCC=CCCCO MCULE-4774794120 [2,0,0,0,0,0|0,0,2]=4 326 B10R0.71 CCCCCCC#CCCO MCULE-5377358049 [2,0,0,0,0,0|0,0,2]=4 327 B10R0.71 CCCCCCC=CCCO MCULE-7637000822 [2,0,0,0,0,0|0,0,2]=4 328 B10R0.71 CCCCCCCC#CCO MCULE-4211819006 [2,0,0,0,0,0|0,0,2]=4 329 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [2,0,0,0,0,0|0,0,2]=4 330 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [2,0,0,0,0,0|0,0,2]=4 331 B10R0.71 CCCCCCCCC#CO MCULE-7543737628 [2,0,0,0,0,0|0,0,2]=4 332 B10R0.71 CCCCCCCCCC#N MCULE-1090480870 [2,0,0,0,0,0|1,0,1]=4 333 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [2,0,0,0,0,0|0,0,0]=2 334 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [2,0,0,0,0,0|1,0,0]=3 335 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [2,0,0,0,0,0|0,0,1]=3 336 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [2,0,0,0,0,0|1,0,0]=3 337 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [2,0,0,0,0,0|1,0,0]=3 338 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [2,0,0,0,0,0|1,0,0]=3 339 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [2,0,0,0,0,0|1,0,0]=3 340 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [2,0,0,0,0,0|0,0,0]=2 341 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [2,0,0,0,0,0|0,1,0]=3 342 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [2,0,0,0,0,0|1,0,1]=4 343 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [2,0,0,0,0,0|1,0,1]=4 344 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [2,0,0,0,0,0|0,0,1]=3 345 B10R0.71 CCCCCCCCCON MCULE-2563186433 [2,0,0,0,0,0|1,0,0]=3 346 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [2,0,0,0,0,0|0,1,1]=4 347 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [2,0,0,0,0,0|1,0,1]=4 348 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [2,0,0,0,0,0|1,0,0]=3 349 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [2,0,0,0,0,0|0,0,0]=2 350 B10R0.71 CCCCCCCCOCC MCULE-7803614357 [2,0,0,0,0,0|1,0,1]=4 351 B10R0.71 CCCCCCCCOCCl MCULE-8103995676 [2,0,0,0,0,0|1,0,1]=4 352 B10R0.71 CCCCCCCOCCCl MCULE-9608529645 [2,0,0,0,0,0|2,0,0]=4 353 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [2,0,0,0,0,0|1,0,0]=3 354 B10R0.71 CCCCCCCOCCS MCULE-8215096371 [2,0,0,0,0,0|1,1,0]=4 355 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [2,0,0,0,0,0|1,0,0]=3 356 B10R0.71 CCCCCCNCCCC MCULE-1698769182 [2,0,0,0,0,0|1,0,1]=4 357 B10R0.71 CCCCCCNCCCCl MCULE-2065775862 [2,0,0,0,0,0|2,0,0]=4 358 B10R0.71 CCCCCCNCCCN MCULE-7482733368 [2,0,0,0,0,0|2,0,0]=4 359 B10R0.71 CCCCCC[NH2+]CCCCl MCULE-1476963531 [2,0,0,0,0,0|2,0,0]=4 360 B10R0.71 CCCCCNCCCCC MCULE-6460289904 [2,0,0,0,0,0|1,0,1]=4 361 B10R0.71 CCCCCNCCCCC MCULE-7466612345 [2,0,0,0,0,0|1,0,1]=4 362 B10R0.71 CCCCCNCCCOC MCULE-8182280213 [2,0,0,0,0,0|1,0,1]=4 363 B10R0.71 CCCCCOCCCCC MCULE-2510849143 [2,0,0,0,0,0|1,0,1]=4 364 B10R0.71 CCCCCSCCCCC MCULE-3839664161 [2,0,0,0,0,0|1,0,1]=4 365 B10R0.71 CCCCNCCOCCO MCULE-6722908845 [2,0,0,0,0,0|2,0,0]=4 366 B10R0.71 CCCCOCCOCCO MCULE-9776383171 [2,0,0,0,0,0|2,0,0]=4 367 B10R0.71 CCCCOCCSCCO MCULE-1950831912 [2,0,0,0,0,0|2,0,0]=4 368 B10R0.71 CCCCSCCOCCO MCULE-8485842279 [2,0,0,0,0,0|2,0,0]=4 369 B10R0.71 CCNCCCNCCCO MCULE-4185964299 [2,0,0,0,0,0|2,0,0]=4 370 B10R0.71 COCCCCCCCCO MCULE-1529283698 [2,0,0,0,0,0|1,0,0]=3 371 B10R0.71 ClCCCCCCCCCCl MCULE-3488427873 [2,0,0,0,0,0|2,0,0]=4 372 B10R0.71 NCCCCCCCCCN MCULE-8114252394 [2,0,0,0,0,0|2,0,0]=4 373 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [2,0,0,0,0,0|1,0,0]=3 374 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [2,0,0,0,0,0|1,0,0]=3 375 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [2,0,0,0,0,0|1,0,0]=3 376 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [2,0,0,0,0,0|1,0,0]=3 377 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [2,0,0,0,0,0|1,0,0]=3 378 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [2,0,0,0,0,0|1,0,0]=3 379 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [2,0,0,0,0,0|1,0,0]=3 380 B10R0.71 OCCCCCCOCCO MCULE-5642986797 [2,0,0,0,0,0|2,0,0]=4 381 B10R0.71 OCCCCNCCCCO MCULE-8546417896 [2,0,0,0,0,0|2,0,0]=4 382 B10R0.71 OCCCCOCCCCO MCULE-7966192236 [2,0,0,0,0,0|2,0,0]=4 383 B10R0.71 OCCOCCCCCCCl MCULE-3240737723 [2,0,0,0,0,0|2,0,0]=4 384 B10R0.71 SCCCCCCCCCS MCULE-1712418590 [2,0,0,0,0,0|1,1,0]=4 385 B10R0.71 [NH2+](CCCC)CCCCCC MCULE-8926764515 [2,0,0,0,0,0|1,0,1]=4 386 B12R0.1 C=CCC(C)CCCCCCCC MCULE-8322698729 [1,1,0,0,0,0|1,0,0]=3 387 B12R0.1 CCCCCCCCC(C)CCC MCULE-8337776414 [1,1,0,0,0,0|1,0,1]=4 388 B12R0.1 CCCCCCCCC(O)CCC MCULE-4193341089 [1,1,0,0,0,0|1,0,1]=4 389 B12R0.47 CCCCCCC(O)CCCCC MCULE-9826172328 [1,1,0,0,0,0|1,0,1]=4 390 B12R0.206 CCCCCCCC(O)CCCC MCULE-7645297712 [1,1,0,0,0,0|1,0,1]=4 391 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [1,1,0,0,0,0|0,0,2]=4 392 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [1,1,0,0,0,0|0,0,2]=4 393 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [1,1,0,0,0,0|1,0,0]=3 394 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [1,1,0,0,0,0|1,0,0]=3 395 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [1,1,0,0,0,0|1,0,0]=3 396 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [1,1,0,0,0,0|0,0,2]=4 397 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [1,1,0,0,0,0|0,0,2]=4 398 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [1,1,0,0,0,0|0,0,2]=4 399 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [1,1,0,0,0,0|0,0,2]=4 400 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [1,1,0,0,0,0|0,0,2]=4 401 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [1,1,0,0,0,0|0,0,2]=4 402 B12R0.234 C=CCCCCCCCOC(=O)C MCULE-7392620730 [1,1,0,0,0,0|0,0,2]=4 403 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [1,1,0,0,0,0|0,0,2]=4 404 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [1,1,0,0,0,0|1,0,0]=3 405 B12R0.234 CCC=CCCCCCOC(=O)C MCULE-2714811926 [1,1,0,0,0,0|0,0,2]=4 406 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [1,1,0,0,0,0|0,0,2]=4 407 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [1,1,0,0,0,0|0,0,2]=4 408 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [1,1,0,0,0,0|0,0,2]=4 409 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [1,1,0,0,0,0|1,0,1]=4 410 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [1,1,0,0,0,0|0,0,0]=2 411 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [1,1,0,0,0,0|0,0,0]=2 412 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [1,1,0,0,0,0|0,0,0]=2 413 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [1,1,0,0,0,0|0,0,0]=2 414 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [1,1,0,0,0,0|1,0,1]=4 415 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [1,1,0,0,0,0|0,0,2]=4 416 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [1,1,0,0,0,0|1,0,0]=3 417 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [1,1,0,0,0,0|1,0,1]=4 418 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [1,1,0,0,0,0|0,1,0]=3 419 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [1,1,0,0,0,0|0,0,0]=2 420 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [1,1,0,0,0,0|0,0,0]=2 421 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-1048722427 [1,1,0,0,0,0|0,1,0]=3 422 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-2082950273 [1,1,0,0,0,0|0,1,0]=3 423 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [1,1,0,0,0,0|1,1,0]=4 424 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [1,1,0,0,0,0|1,1,0]=4 425 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [1,1,0,0,0,0|1,0,0]=3 426 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [1,1,0,0,0,0|1,0,0]=3 427 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [1,1,0,0,0,0|1,0,0]=3 428 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [1,1,0,0,0,0|1,0,0]=3 429 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [1,1,0,0,0,0|1,0,0]=3 430 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [1,1,0,0,0,0|1,0,0]=3 431 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [1,1,0,0,0,0|1,0,0]=3 432 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [1,1,0,0,0,0|1,0,1]=4 433 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [1,1,0,0,0,0|1,0,0]=3 434 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [1,1,0,0,0,0|1,0,0]=3 435 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [1,1,0,0,0,0|1,0,0]=3 436 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [1,1,0,0,0,0|1,0,0]=3 437 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [1,1,0,0,0,0|2,0,0]=4 438 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [1,1,0,0,0,0|2,0,0]=4 439 B12R0.248 CCCCCCCCCC(=O)OC MCULE-3080392178 [1,1,0,0,0,0|0,0,2]=4 440 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [1,1,0,0,0,0|0,0,0]=2 441 B12R0.248 CCCCCCCCCC(O)CC MCULE-8088841540 [1,1,0,0,0,0|1,0,1]=4 442 B12R0.248 CCCCCCCCCC(O)CO MCULE-3958170897 [1,1,0,0,0,0|0,0,2]=4 443 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-4329139225 [1,1,0,0,0,0|0,0,2]=4 444 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-6424120612 [1,1,0,0,0,0|0,0,2]=4 445 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [1,1,0,0,0,0|1,0,1]=4 446 B14R0.391 CCCCCCCCCC(C)CC(=O)O MCULE-2198601753 [0,2,0,0,0,0|1,0,0]=3 447 B14R0.391 CCCCCCCCCC(O)CC(=O)O MCULE-8054557225 [0,2,0,0,0,0|1,0,0]=3 448 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O MCULE-9862158900 [0,2,0,0,0,0|1,0,0]=3 449 B14R0.393 C=CCC(C)CCCCCCCCCC MCULE-2252205948 [0,2,0,0,0,0|2,0,0]=4 450 B14R0.393 CCCCCCCCCCC(=O)OCC MCULE-7345568612 [0,2,0,0,0,0|1,0,1]=4 451 B14R0.393 CCOC(=O)CCCCCCCCC=O MCULE-1701011376 [0,2,0,0,0,0|1,0,1]=4 452 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [0,2,0,0,0,0|1,0,1]=4 453 B14R0.2 CCCCCCCC(O)CCCC(=O)O MCULE-5858594058 [0,2,0,0,0,0|1,0,0]=3 454 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [0,2,0,0,0,0|1,0,1]=4 455 B14R0.68 CC(=O)CCCCCCCCNC(=O)C MCULE-5569964910 [0,2,0,0,0,0|1,0,1]=4 456 B14R0.68 CC(=O)OCCCCCCCOC(=O)C MCULE-2908159074 [0,2,0,0,0,0|1,0,1]=4 457 B14R0.68 CC(C)CCCCCCC/C=C\C(=O)O MCULE-6085372462 [0,2,0,0,0,0|1,0,1]=4 458 B14R0.68 CC(C)CCCCCCCC=CC(=O)O MCULE-2095727186 [0,2,0,0,0,0|1,0,1]=4 459 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [0,2,0,0,0,0|1,0,0]=3 460 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [0,2,0,0,0,0|1,0,0]=3 461 B14R0.88 CCCCCCCCCCCP(=O)(O)O MCULE-1217279150 [0,2,0,0,0,0|2,0,0]=4 462 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [0,2,0,0,0,0|2,0,0]=4 463 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [0,2,0,0,0,0|2,0,0]=4 464 B14R0.88 CCCCCCCCCCOP(=O)(O)O MCULE-6182561553 [0,2,0,0,0,0|1,0,0]=3 465 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [0,2,0,0,0,0|1,0,0]=3 466 B14R0.88 CCCCCCCCCCOS(=O)(=O)O MCULE-5411467830 [0,2,0,0,0,0|1,0,0]=3 467 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] MCULE-7216166437 [0,2,0,0,0,0|1,0,0]=3 468 B14R0.153 CCCCC(=O)CCCCCCC(=O)O MCULE-9203558568 [0,2,0,0,0,0|1,0,1]=4 469 B14R0.153 CCCCC(O)CCCCCCC(=O)O MCULE-9749358521 [0,2,0,0,0,0|1,0,0]=3 470 B14R0.231 CCCCCC(=O)CCCCCC(=O)O MCULE-3463709825 [0,2,0,0,0,0|1,0,1]=4 471 B14R0.231 CCCCCC(O)CCCCCC(=O)O MCULE-1531878545 [0,2,0,0,0,0|1,0,0]=3 472 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [0,2,0,0,0,0|1,0,1]=4 473 B14R0.305 CCC(C)CCCCCCCCC(=O)O MCULE-9730846585 [0,2,0,0,0,0|1,0,0]=3 474 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [0,2,0,0,0,0|2,0,0]=4 475 B14R0.337 C=CC(=O)OCCCCCCCCCC MCULE-3709831969 [0,2,0,0,0,0|0,0,0]=2 476 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-5898572032 [0,2,0,0,0,0|1,0,1]=4 477 B14R0.337 CCCCCCCCCCCC(=N)OC MCULE-8778239925 [0,2,0,0,0,0|1,0,1]=4 478 B14R0.337 CCCCCCCCCCCC(=O)CC MCULE-2582968261 [0,2,0,0,0,0|1,0,0]=3 479 B14R0.337 CCCCCCCCCCCC(=O)NC MCULE-2342575514 [0,2,0,0,0,0|1,0,0]=3 480 B14R0.337 CCCCCCCCCCCC(=O)NN MCULE-7169996147 [0,2,0,0,0,0|1,0,0]=3 481 B14R0.337 CCCCCCCCCCCC(=O)OC MCULE-5588995078 [0,2,0,0,0,0|1,0,0]=3 482 B14R0.337 CCCCCCCCCCNC(=O)CBr MCULE-9700566039 [0,2,0,0,0,0|1,0,0]=3 483 B14R0.337 CCCCCCCCCCNC(=O)CCl MCULE-9148882207 [0,2,0,0,0,0|1,0,0]=3 484 B14R0.337 CCCCCCCCCCNC(=S)NN MCULE-3954684394 [0,2,0,0,0,0|1,1,0]=4 485 B14R0.337 CCCCCCCCCCOC(=O)CC MCULE-5080633291 [0,2,0,0,0,0|0,0,0]=2 486 B14R0.337 CCCCCCCCCCOC(=O)CCl MCULE-7984482986 [0,2,0,0,0,0|0,0,0]=2 487 B14R0.337 CCCCCCCCCCOC(=O)CN MCULE-5542693903 [0,2,0,0,0,0|0,0,0]=2 488 B14R0.337 CCCCCCCCNCCC(=O)OC MCULE-3052571159 [0,2,0,0,0,0|2,0,0]=4 489 B14R0.337 COC(=O)CCCCCCCCCCBr MCULE-8632429257 [0,2,0,0,0,0|2,0,0]=4 490 B14R0.337 COC(=O)CCCCCCCCCCCl MCULE-4470603458 [0,2,0,0,0,0|2,0,0]=4 491 B14R0.337 COC(=O)CCCCCCCCCCI MCULE-2171087302 [0,2,0,0,0,0|2,0,0]=4 492 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-5833366967 [0,2,0,0,0,0|2,0,0]=4 493 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-9980770025 [0,2,0,0,0,0|2,0,0]=4 494 B14R0.340 CCCCCCCCCCC(Br)C(=O)O MCULE-8612961366 [0,2,0,0,0,0|1,0,0]=3 495 B14R0.340 CCCCCCCCCCC(C)C(=O)O MCULE-9255156956 [0,2,0,0,0,0|1,0,0]=3 496 B14R0.340 CCCCCCCCCCC(Cl)C(=O)O MCULE-6251475162 [0,2,0,0,0,0|1,0,0]=3 497 B14R0.340 CCCCCCCCCCC(N)C(=O)O MCULE-3310366500 [0,2,0,0,0,0|1,0,0]=3 498 B14R0.340 CCCCCCCCCCC(O)C(=O)O MCULE-5171743084 [0,2,0,0,0,0|1,0,0]=3 499 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O MCULE-6652767353 [0,2,0,0,0,0|1,0,0]=3 500 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-4936998730 [0,2,0,0,0,0|1,0,0]=3 501 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-6114365319 [0,2,0,0,0,0|1,0,0]=3 502 B14R0.344 CCCCCCCCC(=O)CCC(=O)O MCULE-8037408561 [0,2,0,0,0,0|1,0,1]=4 503 B14R0.344 CCCCCCCCC(C)CCC(=O)O MCULE-9191627113 [0,2,0,0,0,0|1,0,0]=3 504 B14R0.344 CCCCCCCCC(O)CCC(=O)O MCULE-6470944503 [0,2,0,0,0,0|1,0,0]=3 505 B14R0.344 CCCCCCCCC(O)CCC(=O)[O-] MCULE-2857603909 [0,2,0,0,0,0|1,0,0]=3 506 B14R0.344 CCCCCCCCS(=O)CCC(=O)N MCULE-4064667650 [0,2,0,0,0,0|2,0,0]=4 507 B14R0.344 CCCCCCCCS(=O)CCC(=O)O MCULE-6503950443 [0,2,0,0,0,0|2,0,0]=4 508 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [0,2,0,0,0,0|1,0,1]=4 509 B14R0.394 C=C(C)CCCCCCCCCCCC MCULE-1660064186 [0,2,0,0,0,0|2,0,0]=4 510 B14R0.394 C=CCCCCCCCCCCC(=C)C MCULE-2402891038 [0,2,0,0,0,0|2,0,0]=4 511 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [0,2,0,0,0,0|1,0,1]=4 512 B14R0.394 C=CCCCCCCCCCSC(=O)C MCULE-4760117307 [0,2,0,0,0,0|0,1,1]=4 513 B14R0.394 CC(C)CCCCCCCCCCC=O MCULE-8754468744 [0,2,0,0,0,0|1,0,0]=3 514 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [0,2,0,0,0,0|1,0,1]=4 515 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [0,2,0,0,0,0|1,0,0]=3 516 B14R0.394 CCCCCCCCCCCCC(=O)C MCULE-2872423248 [0,2,0,0,0,0|1,0,0]=3 517 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [0,2,0,0,0,0|1,0,0]=3 518 B14R0.394 CCCCCCCCCCCCN(=O)=O MCULE-5400909349 [0,2,0,0,0,0|1,0,1]=4 519 B14R0.394 CCCCCCCCCCCCS(=O)C MCULE-1846061546 [0,2,0,0,0,0|1,0,1]=4 520 B14R0.394 CCCCCCCCCCCOC(=O)C MCULE-9960804873 [0,2,0,0,0,0|0,0,0]=2 521 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [0,2,0,0,0,0|1,0,0]=3 522 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [0,2,0,0,0,0|1,0,0]=3 523 B14R0.394 CCCCCCCCSCCOC(=O)C MCULE-3293546242 [0,2,0,0,0,0|0,0,0]=2 524 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-4393321218 [0,2,0,0,0,0|1,1,0]=4 525 B14R0.394 CCCCCCCCSCCSC(=N)N MCULE-8799034938 [0,2,0,0,0,0|1,1,0]=4 526 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [0,2,0,0,0,0|1,0,1]=4 527 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [0,2,0,0,0,0|1,0,0]=3 528 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [0,2,0,0,0,0|1,0,0]=3 529 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [0,2,0,0,0,0|1,0,0]=3 530 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [0,2,0,0,0,0|1,0,0]=3 531 B14R0.394 O=C(O)COCCOCCCCCCCl MCULE-1118128476 [0,2,0,0,0,0|2,0,0]=4 532 B14R0.394 O=N(=O)CCCCCCCCCCCO MCULE-8940789390 [0,2,0,0,0,0|2,0,0]=4 533 B14R0.2224 CCCCCCC(O)CCCCC(=O)O MCULE-1514435932 [0,2,0,0,0,0|1,0,0]=3 534 B14R0.392 C=CCCCCCCCC#CCCCC MCULE-2827748131 [0,2,0,0,0,0|2,0,0]=4 535 B14R0.392 C=CCCCCCCCCCCCCBr MCULE-4861537594 [0,2,0,0,0,0|2,0,0]=4 536 B14R0.392 C=CCCCCCCCCCCCCC MCULE-8648825393 [0,2,0,0,0,0|2,0,0]=4 537 B14R0.392 C=CCCCCCCCCCCCCO MCULE-4486162306 [0,2,0,0,0,0|2,0,0]=4 538 B14R0.392 C=COCCCCCCCCCCCC MCULE-1459857080 [0,2,0,0,0,0|1,0,0]=3 539 B14R0.392 CC/C=C/CCCCCCCCCC=O MCULE-2385351310 [0,2,0,0,0,0|1,0,0]=3 540 B14R0.392 CC/C=C/CCCCCCCCCCO MCULE-6147260229 [0,2,0,0,0,0|2,0,0]=4 541 B14R0.392 CC/C=C\CCCCCCCCCCO MCULE-2734666708 [0,2,0,0,0,0|2,0,0]=4 542 B14R0.392 CCC=CCCCCCCCCCC=O MCULE-2282950568 [0,2,0,0,0,0|1,0,0]=3 543 B14R0.392 CCC=CCCCCCCCCCCO MCULE-6860357182 [0,2,0,0,0,0|2,0,0]=4 544 B14R0.392 CCCCCCC=CCCCCCC=O MCULE-7363296204 [0,2,0,0,0,0|1,0,0]=3 545 B14R0.392 CCCCCCCCCCCCCC=O MCULE-7550121675 [0,2,0,0,0,0|1,0,0]=3 546 B14R0.392 CCCCCCCCCCCCN=C=O MCULE-6525738732 [0,2,0,0,0,0|1,0,1]=4 547 B14R0.392 CCCCCCCCCCCCNC=O MCULE-2685945212 [0,2,0,0,0,0|1,0,0]=3 548 B14R0.392 CCCCCCCCCCCCOC=O MCULE-6493174878 [0,2,0,0,0,0|0,0,0]=2 549 B14R0.392 CCCCCCCCCCCOCCO MCULE-9070806750 [0,2,0,0,0,0|0,0,2]=4 550 B14R0.392 CCCCCCCCCCOCCC#N MCULE-1226038227 [0,2,0,0,0,0|1,0,1]=4 551 B14R0.392 CCCCCCCCCCOCCCN MCULE-5521116196 [0,2,0,0,0,0|1,0,1]=4 552 B14R0.392 CCCCCCCCCCOCCC[NH3+] MCULE-4032173132 [0,2,0,0,0,0|1,0,1]=4 553 B14R0.392 CCCCCCCCOCCOCCO MCULE-1601729359 [0,2,0,0,0,0|0,0,2]=4 554 B14R0.392 CCCCCCCCOCCOCCS MCULE-5307480315 [0,2,0,0,0,0|0,1,1]=4 555 B14R0.392 CCCCCCCCSCCOCCO MCULE-7061985127 [0,2,0,0,0,0|0,0,2]=4 556 B12R1.8 C=CCCCCC1CCCCC1 MCULE-1420996147 [1,0,0,1,0,0|1,0,0]=3 557 B12R1.8 CCCCCCC1CCCCC1 MCULE-5596413302 [1,0,0,1,0,0|1,0,1]=4 558 B12R1.8 CCCCCCC1CCCCN1 MCULE-4953489742 [1,0,0,1,0,0|1,0,1]=4 559 B12R1.8 CCCCCCC1CCCCN1 MCULE-7758843685 [1,0,0,1,0,0|1,0,1]=4 560 B12R1.8 CCCCCCC1CCCNC1 MCULE-3360628584 [1,0,0,1,0,0|1,0,1]=4 561 B12R1.8 CCCCCCC1CCCNC1 MCULE-4345567859 [1,0,0,1,0,0|1,0,1]=4 562 B12R1.8 COCCNCC1CCCCC1 MCULE-2366600296 [1,0,0,1,0,0|1,0,1]=4 563 B12R1.8 COCCNCC1CCCCC1 MCULE-6797211118 [1,0,0,1,0,0|1,0,1]=4 564 B12R1.18 CCCCN1CCCCCC1=O MCULE-2860927768 [1,0,0,1,0,0|1,0,0]=3 565 B12R1.18 CCCCN1CCNCCC1=O MCULE-5173759883 [1,0,0,1,0,0|2,0,0]=4 566 B12R1.18 NCCCN1CCCCCC1=O MCULE-7534720301 [1,0,0,1,0,0|2,0,0]=4 567 B12R1.18 NCCCN1CCCCCC1=O MCULE-7641696435 [1,0,0,1,0,0|2,0,0]=4 568 B12R1.215 O=C1CCNCCCCCCN1 MCULE-1263100451 [1,0,0,1,0,0|2,0,0]=4 569 B12R1.267 CCCCC=C1CCCCC1=O MCULE-6881426714 [1,0,0,1,0,0|0,0,2]=4 570 B12R1.267 CCCCCC1CCCCC1=O MCULE-3162873716 [1,0,0,1,0,0|0,0,0]=2 571 B12R1.267 NCCCCN1CCCCC1=O MCULE-5609841049 [1,0,0,1,0,0|2,0,0]=4 572 B12R1.267 O=C1CCCCC1CNCCBr MCULE-7462371251 [1,0,0,1,0,0|2,0,0]=4 573 B12R1.267 O=C1CCCCC1CNCCBr MCULE-8159055342 [1,0,0,1,0,0|2,0,0]=4 574 B12R1.281 CCNC1CCCCCC1OC MCULE-7967143465 [1,0,0,1,0,0|1,0,1]=4 575 B12R1.329 C=CCNC1CCCCCCC1 MCULE-4436940732 [1,0,0,1,0,0|2,0,0]=4 576 B12R1.329 C=CCNC1CCCCCCC1 MCULE-7467999336 [1,0,0,1,0,0|2,0,0]=4 577 B12R1.372 CCCCCCC1=CCCC1=O MCULE-1287633510 [1,0,0,1,0,0|0,0,2]=4 578 B12R1.372 CCCCCCC1CCCC1=O MCULE-9980064191 [1,0,0,1,0,0|0,0,0]=2 579 B12R1.372 CCCCCCC1CCOC1=O MCULE-7489729502 [1,0,0,1,0,0|0,0,0]=2 580 B12R1.372 CCCCCCN1CCCC1=O MCULE-1097521229 [1,0,0,1,0,0|1,0,0]=3 581 B12R1.375 CCCCCCCCC[C@@H]1CO1 MCULE-1904651720 [1,0,0,1,0,0|0,0,1]=3 582 B12R1.375 CCCCCCCOC[C@H]1CO1 MCULE-6928162982 [1,0,0,1,0,0|1,0,1]=4 583 B12R1.399 CNC1CCCCCCC1OC MCULE-3417290973 [1,0,0,1,0,0|1,0,1]=4 584 B12R1.410 CNC1CCCCCCCCC1 MCULE-9906028937 [1,0,0,1,0,0|1,0,1]=4 585 B12R1.550 C1=CCCCCCCCCCC1 MCULE-7809911769 [1,0,0,1,0,0|1,0,0]=3 586 B12R1.550 C1=CCCCCCCCCCC1 MCULE-9211992042 [1,0,0,1,0,0|1,0,0]=3 587 B12R1.550 C1CCCCCCCCCCC1 MCULE-7420288531 [1,0,0,1,0,0|1,0,1]=4 588 B12R1.1414 C=CCCCC1CCCCCC1 MCULE-7969593113 [1,0,0,1,0,0|1,0,0]=3 589 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [0,1,0,1,0,0|1,0,0]=3 590 B14R1.40 CCCCCCCCCC1OCCO1 MCULE-6985905845 [0,1,0,1,0,0|0,0,2]=4 591 B14R1.216 CCCCCCC#CN1CCOC1=O MCULE-4601649579 [0,1,0,1,0,0|0,0,2]=4 592 B14R1.216 CCCCCCCCC1CCCC1=O MCULE-7970611652 [0,1,0,1,0,0|1,0,0]=3 593 B14R1.216 CCCCCCCCC1CCNC1=O MCULE-8169921256 [0,1,0,1,0,0|1,0,0]=3 594 B14R1.216 CCCCCCCCN1CCCC1=O MCULE-8809059739 [0,1,0,1,0,0|1,0,0]=3 595 B14R1.216 CCCCCCCCN1CCOC1=O MCULE-6991317211 [0,1,0,1,0,0|0,0,0]=2 596 B14R1.230 CCCCCCCCC[C@H]1O[C@@H]1CO MCULE-5540109111 [0,1,0,1,0,0|0,0,2]=4 597 B14R1.4408 O=C1CCCCCCCCCCCN1 MCULE-1851658645 [0,1,0,1,0,0|1,0,0]=3 598 B14R1.4408 O=C1CCCCCCCCCCCO1 MCULE-9380541113 [0,1,0,1,0,0|0,0,0]=2 599 B14R1.122 CCCCCCCCC1C=CC(=O)O1 MCULE-5943669264 [0,1,0,1,0,0|1,0,1]=4 600 B14R1.122 CCCCCCCCC1CCC(=O)O1 MCULE-7923543295 [0,1,0,1,0,0|1,0,0]=3 601 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 MCULE-9283902739 [0,1,0,1,0,0|1,0,0]=3 602 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-6634961753 [0,1,0,1,0,0|2,0,0]=4 603 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-7902887603 [0,1,0,1,0,0|2,0,0]=4 604 B14R1.269 CCCC1CCCCCC1NC(=O)C MCULE-1926366330 [0,1,0,1,0,0|1,0,0]=3 605 B14R1.422 CC(=O)OCCCCC1CCCCN1 MCULE-5119546001 [0,1,0,1,0,0|1,0,0]=3 606 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [0,1,0,1,0,0|1,0,0]=3 607 B14R1.422 O=C(O)CCCCCN1CCCCC1 MCULE-8688134792 [0,1,0,1,0,0|2,0,0]=4 608 B14R1.1252 CCCCCCC1CCCCC(=O)N1 MCULE-8020444927 [0,1,0,1,0,0|1,0,0]=3 609 B14R1.4728 CCCCCCCCC1CC1C(=O)N MCULE-3980615271 [0,1,0,1,0,0|1,0,0]=3 610 B14R1.4728 CCCCCCCCC1CC1C(=O)O MCULE-6572964179 [0,1,0,1,0,0|1,0,0]=3 611 B14R1.6388 O=C(O)CCCCCCCCC1CC1 MCULE-4957612029 [0,1,0,1,0,0|1,0,0]=3 612 B14R1.123 CCCCCCCCN1CCOCC1 MCULE-3195925837 [0,1,0,1,0,0|1,0,1]=4 613 B14R1.123 CCCCCCCC[NH+]1CCOCC1 MCULE-9117313117 [0,1,0,1,0,0|1,0,1]=4 614 B14R1.123 O=CCCCCCOC1CCCCC1 MCULE-9855648849 [0,1,0,1,0,0|1,0,0]=3 615 B14R1.882 CCCCCCC=C1CCCCC1=O MCULE-7594121913 [0,1,0,1,0,0|1,0,1]=4 616 B14R1.4960 O=C1CCCCC(=O)OCCCCO1 MCULE-1278262652 [0,1,0,1,0,0|1,0,1]=4 617 B14R1.247 CC1CCCCCCCCCCC1=O MCULE-3023877204 [0,1,0,1,0,0|1,0,0]=3 618 B14R1.247 O=C1CCCCCCCCCCC1Br MCULE-2954229808 [0,1,0,1,0,0|1,0,0]=3 619 B14R1.247 O=C1CCCCCCCCCCC1Cl MCULE-3762267711 [0,1,0,1,0,0|1,0,0]=3 620 B14R1.845 ON=C1CCCCCCCCCCC1 MCULE-6777210096 [0,1,0,1,0,0|1,0,1]=4 621 B14R1.62 CCCCCCCC1CCCC1=NO MCULE-7524060431 [0,1,0,1,0,0|1,0,1]=4 622 B14R1.62 CCCCCCCC\1CCC/C1=N/O MCULE-9956165606 [0,1,0,1,0,0|1,0,1]=4 623 B14R1.62 CCCCCCCC\1CCC/C1=N\O MCULE-6607576593 [0,1,0,1,0,0|1,0,1]=4 624 B14R1.274 CCNC1CCCCCCC1OCC MCULE-5056094383 [0,1,0,1,0,0|1,0,1]=4 625 B14R1.476 CCCCCCC1CCCCC1=NO MCULE-6968797706 [0,1,0,1,0,0|1,0,1]=4 626 B14R1.476 CCCCCCC\1CCCC/C1=N/O MCULE-9076847941 [0,1,0,1,0,0|1,0,1]=4 627 B14R1.1047 CCCCCC(=O)NC1CCOC1=O MCULE-5316366971 [0,1,0,1,0,0|1,0,1]=4 628 B14R1.1047 CCCCCC(=O)N[C@H]1CCOC1=O MCULE-2115553892 [0,1,0,1,0,0|1,0,1]=4 629 B14R1.1047 CCCCCC(=O)N[C@H]1CCOC1=O MCULE-8486234777 [0,1,0,1,0,0|1,0,1]=4 630 B14R2.24 O=C1CCCCC1C2CCCCC2 MCULE-2773584527 [0,0,0,2,0,0|1,0,0]=3 631 B14R2.24 O=C1CCCCC1N2CCCCC2 MCULE-8024132141 [0,0,0,2,0,0|2,0,0]=4 632 B14R2.24 O=C1CCCCC1N2CCCCC2 MCULE-9286675226 [0,0,0,2,0,0|2,0,0]=4 633 B14R2.24 O=C1CCCCN1C2CCCCC2 MCULE-3516607342 [0,0,0,2,0,0|2,0,0]=4 634 B14R2.24 O=C1NCCCC1N2CCCCC2 MCULE-2691320919 [0,0,0,2,0,0|2,0,0]=4 635 B14R2.24 O=C1OCCCN1C2CCCNC2 MCULE-3076873277 [0,0,0,2,0,0|2,0,0]=4 636 B14R2.24 O=C1OCCCN1C2CCCNC2 MCULE-3109227342 [0,0,0,2,0,0|2,0,0]=4 637 B14R2.24 O=C1OCCCN1C2CCNCC2 MCULE-8586557553 [0,0,0,2,0,0|2,0,0]=4 638 B14R2.24 O=C1OCCCN1C2CCNCC2 MCULE-9118101720 [0,0,0,2,0,0|2,0,0]=4 639 B14R2.24 O=C1OCCCN1[C@@H]2CCCNC2 MCULE-3747381466 [0,0,0,2,0,0|2,0,0]=4 640 B14R2.24 O=C1OCCCN1[C@@H]2CCCNC2 MCULE-5205797389 [0,0,0,2,0,0|2,0,0]=4 641 B14R2.24 O=C1OCCCN1[C@H]2CCCNC2 MCULE-7650330038 [0,0,0,2,0,0|2,0,0]=4 642 B14R2.24 O=C1OCCCN1[C@H]2CCCNC2 MCULE-8447441443 [0,0,0,2,0,0|2,0,0]=4 643 B14R2.30 O=C1OCCN1CC2CCCNC2 MCULE-9302763711 [0,0,0,2,0,0|2,0,0]=4 644 B14R2.30 O=C1OCCN1CC2CCCNC2 MCULE-9650655201 [0,0,0,2,0,0|2,0,0]=4 645 B14R2.30 O=C1OCCN1CC2CCNCC2 MCULE-7347038048 [0,0,0,2,0,0|2,0,0]=4 646 B14R2.381 O=C1NCCCNC12CCCCC2 MCULE-6457907172 [0,0,0,2,0,0|2,0,0]=4 647 B14R2.112 O=COC1CCC2CCCCC2C1 MCULE-6169817641 [0,0,0,2,0,0|0,0,0]=2 648 B14R2.50 O=C1CCCCC1CN2CCCC2 MCULE-3091610681 [0,0,0,2,0,0|2,0,0]=4 649 B14R2.167 CCN1CCCC12CCCNC2=O MCULE-9133834850 [0,0,0,2,0,0|2,0,0]=4 650 B14R2.2841 C1CCCCCC2OC2CCCC1 MCULE-8681869919 [0,0,0,2,0,0|1,0,1]=4 651 B14R2.293 C[C@@H]1NCCC[C@]12CCCNC2=O MCULE-1770865070 [0,0,0,2,0,0|2,0,0]=4 652 B14R2.293 C[C@@H]1NCCC[C@]12CCCNC2=O MCULE-4178722284 [0,0,0,2,0,0|2,0,0]=4 653 B14R2.293 C[C@H]1NCCC[C@]12CCCNC2=O MCULE-3525042266 [0,0,0,2,0,0|2,0,0]=4 654 B14R2.293 C[C@H]1NCCC[C@]12CCCNC2=O MCULE-5764600274 [0,0,0,2,0,0|2,0,0]=4 655 B14R2.5202 O=C1CCCC1C2CCCCCN2 MCULE-5137638274 [0,0,0,2,0,0|2,0,0]=4