0 B8R1.7 B(C1=CCCC1)(O)O AB11270 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.7 B(C1CCCC1)(O)O AB08034 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 B(C1CCNC1)(O)O AB68586 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 C1=NC=NC1C(=O)O AB03082 [0,0,0,0,0,0|1,0,3]=4 4 B8R1.7 C1=NN=CC1C(=O)O PB30547 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.7 C1=NN=NC1C(=O)O AB01780 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [0,0,0,0,0,0|1,0,3]=4 8 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.7 C1C=CCC1C(=O)O PB14124 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.7 C1CC(NC1)C(F)F AB85539 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.7 C1CNCC1C(=O)N PB11736 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 C1CNCC1C(=O)N PB32691 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.7 C1CNCC1C(=O)O PB19915 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.7 C1COC=C1C(=O)O PB26262 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.7 C1COCC1C(=O)N PB20686 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,0,0,0,0,0|0,0,0]=0 26 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,0,0,0,0,0|1,0,0]=1 27 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [0,0,0,0,0,0|1,0,0]=1 28 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [0,0,0,0,0,0|2,0,2]=4 30 B7R1.1 C1C=CCC1C=O AB76805 [1,0,0,0,0,0|1,0,2]=4 31 B7R1.1 C1CC(NC1)C#N PB19916 [1,0,0,0,0,0|1,0,1]=3 32 B7R1.1 C1CC(OC1)CI AB24846 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.1 C1CC(OC1)CN AB00408 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.1 C1CCC(C1)C=O AB02400 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.1 C1CCC(C1)CBr AB50196 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 C1CCC(C1)CI AB15507 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 C1CCC(C1)CN AB17884 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 C1CNCC1CO PB15896 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 C1CNCC1CO PB31387 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 C1CNC[C@@H]1CO PB12644 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 C1CNC[C@@H]1CO PB19010 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.1 C1CNC[C@H]1CO PB31350 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.1 C1CNC[C@H]1CO PB32765 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.1 C1COCC1CO PB30586 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.1 C1COC[C@@H]1CO PB30186 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 C1COC[C@H]1CO PB34870 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [1,0,0,0,0,0|1,0,1]=3 48 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.1 C1C[C@@H](NC1)CO PB21663 [1,0,0,0,0,0|0,0,1]=2 50 B7R1.1 C1C[C@H](NC1)C#N PB29383 [1,0,0,0,0,0|1,0,1]=3 51 B7R1.1 C1C[C@H](NC1)CF PB15907 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.1 C1C[C@H](NC1)CN PB13488 [1,0,0,0,0,0|1,0,1]=3 53 B7R1.1 C1C[C@H](NC1)CO PB30520 [1,0,0,0,0,0|0,0,1]=2 54 B7R1.1 C1[C@@H](NCS1)C#N AB63804 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 C1[C@H](NCS1)C#N AB63801 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 CCC1CCCN1 AB12042 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.11 C1CC(OC1)C(=O)NN AB11571 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.11 C1COCC1C(=O)NN PB34154 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.11 COC(=O)C1CCNC1 PB20842 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.11 COC(=O)C1CCOC1 PB14439 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.11 COC(=O)[C@@H]1CCCN1 AB16177 [0,1,0,0,0,0|0,0,0]=1 62 B9R1.11 COC(=O)[C@@H]1CCNC1 PB24127 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.11 COC(=O)[C@@H]1CCOC1 PB21424 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.11 COC(=O)[C@H]1CCNC1 PB24144 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.11 COC(=O)[C@H]1CCOC1 PB21418 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.19 C1CC(NC1)C(F)(F)F AB12036 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.19 C1CCC(C1)S(=O)(=O)Cl AB20732 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.35 C1CC(=O)C=C1C(=O)O CB11482 [0,1,0,0,0,0|1,0,2]=4 69 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [0,1,0,0,0,0|1,0,1]=3 70 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [0,1,0,0,0,0|1,0,1]=3 71 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [0,1,0,0,0,0|1,0,1]=3 72 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,1,0,0,0,0|1,0,0]=2 73 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O MB00931 [0,1,0,0,0,0|1,0,1]=3 77 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,1,0,0,0,0|0,0,0]=1 78 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,1,0,0,0,0|0,0,0]=1 79 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,1,0,0,0,0|0,0,0]=1 80 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,1,0,0,0,0|0,0,0]=1 81 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,1,0,0,0,0|0,0,0]=1 82 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,1,0,0,0,0|0,0,0]=1 83 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,1,0,0,0,0|0,0,0]=1 84 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,1,0,0,0,0|0,0,0]=1 85 B9R1.35 C1[C@H](NCC1=O)C(=O)O AB31269 [0,1,0,0,0,0|0,0,1]=2 86 B9R1.35 C1[C@H](NCC1=O)C(=O)O CB11605 [0,1,0,0,0,0|0,0,1]=2 87 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,1,0,0,0,0|0,0,0]=1 95 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,1,0,0,0,0|0,0,0]=1 96 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,1,0,0,0,0|0,0,0]=1 97 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.41 C1CNC(=O)C1C(=O)O PB18154 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [0,1,0,0,0,0|0,0,0]=1 100 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,1,0,0,0,0|0,0,0]=1 104 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,1,0,0,0,0|0,0,0]=1 105 B9R1.163 C1C=CCC1(C(=O)O)N AB14600 [0,1,0,0,0,0|1,0,2]=4 106 B9R1.163 C1CCC(C1)(C(=O)O)O CB10167 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.163 C1CNCC1(C(=O)O)F PB31935 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.163 C1CNCC1(C(=O)O)N AB43590 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.163 C1COCC1(C(=O)O)N PB18879 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.163 CC1(CCCN1)C(=O)O AB08716 [0,1,0,0,0,0|0,0,0]=1 111 B9R1.163 CC1(CCCO1)C(=O)O CB10966 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.163 CC1(CCOC1)C(=O)O PB17988 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.163 C[C@@]1(CCCN1)C(=O)O PB18294 [0,1,0,0,0,0|0,0,0]=1 114 B9R1.163 C[C@]1(CCCN1)C(=O)O PB34076 [0,1,0,0,0,0|0,0,0]=1 115 B7R0.4 B(CCCCC)(O)O AB08098 [0,0,1,0,0,0|2,0,1]=4 116 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,0,1,0,0,0|0,0,0]=1 117 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,0,1,0,0,0|0,0,0]=1 118 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,0,1,0,0,0|1,0,0]=2 119 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,0,1,0,0,0|1,0,0]=2 120 B7R0.15 CCC(CN)C(=O)O AB62466 [0,0,1,0,0,0|2,0,0]=3 121 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O PB36484 [0,0,0,1,0,0|1,0,1]=3 122 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O PB35089 [0,0,0,1,0,0|1,0,1]=3 123 B7R1.18 B(C1CCC1)(O)O AB29820 [0,0,0,0,1,0|1,0,1]=3 124 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,0,0,0,1,0|2,0,0]=3 125 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,0,0,0,1,0|2,0,0]=3 126 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,0,0,0,1,0|1,0,0]=2 127 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,0,0,0,1,0|1,0,0]=2 128 B7R1.18 C1CC(C1)C(=N)N PB21224 [0,0,0,0,1,0|2,0,0]=3 129 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [0,0,0,0,1,0|1,0,1]=3 130 B7R1.18 C1CN(C1)C(=O)O AB16585 [0,0,0,0,1,0|1,0,0]=2 131 B7R1.18 C1CNC1C(=O)N MB03936 [0,0,0,0,1,0|1,0,0]=2 132 B7R1.18 C1CNC1C(=O)O PB12060 [0,0,0,0,1,0|0,0,0]=1 133 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,0,0,0,1,0|0,0,0]=1 134 B7R1.18 C1COC1C(=O)O PB26385 [0,0,0,0,1,0|1,0,0]=2 135 B7R1.18 CC(C1CCC1)O CB10183 [0,0,0,0,1,0|1,0,1]=3 136 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,0,0,0,0,1|2,0,1]=4 137 B9R1.6 B(C1CCOCC1)(O)O AB32598 [0,0,0,0,0,1|2,0,1]=4 138 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [0,0,0,0,0,1|1,0,0]=2 139 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,0,0,0,0,1|1,0,0]=2 140 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,0,0,0,0,1|1,0,0]=2 141 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,0,0,0,0,1|1,0,0]=2 142 B9R1.6 C1CCNC(C1)C(F)F AB85531 [0,0,0,0,0,1|2,0,1]=4 143 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,0,0,0,0,1|0,0,0]=1 144 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,0,0,0,0,1|0,0,0]=1 145 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [0,0,0,0,0,1|0,0,0]=1 146 B9R1.6 C1CNC(CN1)C(F)F AB76270 [0,0,0,0,0,1|2,0,1]=4 147 B9R1.6 C1CNCCC1C(=N)N AB22053 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.6 C1CNCCC1C(=O)N PB25917 [0,0,0,0,0,1|2,0,0]=3 149 B9R1.6 C1CNCCC1C(=O)O AB00566 [0,0,0,0,0,1|1,0,0]=2 150 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [0,0,0,0,0,1|0,0,0]=1 151 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [0,0,0,0,0,1|0,0,0]=1 152 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [0,0,0,0,0,1|0,0,0]=1 153 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,0,0,0,0,1|1,0,0]=2 154 B9R1.6 C1COCC(N1)C(=O)O PB12912 [0,0,0,0,0,1|0,0,0]=1 155 B9R1.6 C1COCC(N1)C(F)F AB85533 [0,0,0,0,0,1|2,0,1]=4 156 B9R1.6 C1COCCC1C(=N)N PB32880 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.6 C1COCCC1C(=O)O PB14093 [0,0,0,0,0,1|1,0,0]=2 158 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [0,0,0,0,0,1|0,0,0]=1 159 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [0,0,0,0,0,1|0,0,0]=1 160 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,0,0,0,0,1|1,0,0]=2 161 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,0,0,0,0,1|1,0,0]=2 162 B9R1.6 C1CSCCC1C(=O)O PB25232 [0,0,0,0,0,1|1,0,0]=2 163 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [0,0,0,0,0,1|0,0,0]=1 164 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [0,0,0,0,0,1|0,0,0]=1 165 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,0,0,0,0,1|1,0,1]=3 166 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [0,0,0,0,0,1|1,0,0]=2 167 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [0,0,0,0,0,1|1,0,0]=2 168 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,0,0,0,0,1|0,0,0]=1 169 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,0,0,0,0,1|1,0,1]=3 170 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [0,0,0,0,0,1|1,0,0]=2 171 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [0,0,0,0,0,1|1,0,0]=2 172 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,0,0,0,0,1|0,0,0]=1 173 B9R1.6 CC(C)C1CCCCN1 AB12062 [0,0,0,0,0,1|2,0,1]=4 174 B9R1.6 CC(C)C1CNCCN1 AB36138 [0,0,0,0,0,1|2,0,1]=4 175 B9R1.6 CC(C)[C@@H]1CNCCN1 AB36142 [0,0,0,0,0,1|2,0,1]=4 176 B9R1.6 CC(C)[C@H]1CNCCN1 AB36140 [0,0,0,0,0,1|2,0,1]=4 177 B9R1.13 C1CNCC1CC(=O)O PB14239 [0,0,0,0,0,1|2,0,0]=3 178 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [0,0,0,0,0,1|2,0,0]=3 179 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.13 C1COCC1CC(=O)O CB10890 [0,0,0,0,0,1|2,0,0]=3 181 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [0,0,0,0,0,1|0,0,0]=1 182 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [0,0,0,0,0,1|0,0,0]=1 183 B9R1.13 CC(=O)N[C@@H]1CCNC1 PB10078 [0,0,0,0,0,1|3,0,0]=4 184 B9R1.13 CN(C)C[C@@H]1CCCN1 PB28130 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.13 CN(C)C[C@H]1CCCN1 PB19677 [0,0,0,0,0,1|3,0,0]=4 186 B6R0.4 C#CCCC(=O)O CB10019 [1,0,1,0,0,0|0,0,2]=4 187 B6R0.6 CCCNCCC AB02251 [1,0,1,0,0,0|1,0,1]=4 188 B6R0.1 COCC(CO)N AB24949 [1,0,1,0,0,0|1,0,1]=4 189 B6R0.3 B(C(C)CC)(O)O AB25482 [1,0,1,0,0,0|1,0,1]=4 190 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [1,0,1,0,0,0|1,0,0]=3 191 B6R0.3 CC(CN)C(=O)O AB00933 [1,0,1,0,0,0|1,0,0]=3 192 B6R0.3 CCC(C(=O)O)N AB00928 [1,0,1,0,0,0|0,0,0]=2 193 B6R0.3 CCN(C)C(=O)Cl MB05193 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [1,0,1,0,0,0|1,0,0]=3 195 B6R0.3 C[C@H](CN)C(=O)O AB08204 [1,0,1,0,0,0|1,0,0]=3 196 B6R1.2 C1CNCC1O PB24775 [2,0,0,0,0,0|2,0,0]=4 197 B6R1.2 C1CNC[C@@H]1O PB17129 [2,0,0,0,0,0|2,0,0]=4 198 B6R1.2 C1CNC[C@@H]1O PB18456 [2,0,0,0,0,0|2,0,0]=4 199 B6R1.2 C1CNC[C@H]1O PB30638 [2,0,0,0,0,0|2,0,0]=4 200 B6R1.2 C1CNC[C@H]1O PB32171 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 C1COCC1O PB24525 [2,0,0,0,0,0|2,0,0]=4 202 B6R1.2 C1COC[C@@H]1O PB17096 [2,0,0,0,0,0|2,0,0]=4 203 B6R1.2 C1COC[C@H]1O PB25950 [2,0,0,0,0,0|2,0,0]=4 204 B6R1.2 C1CONC1=O MB10654 [2,0,0,0,0,0|1,0,1]=4 205 B6R1.2 CC1CCCN1 AB44503 [2,0,0,0,0,0|0,0,1]=3 206 B6R1.2 C[C@@H]1CCCN1 AB29488 [2,0,0,0,0,0|0,0,1]=3 207 B6R1.2 C[C@@H]1CCCN1 AB42774 [2,0,0,0,0,0|0,0,1]=3 208 B6R1.2 C[C@H]1CCCN1 AB29489 [2,0,0,0,0,0|0,0,1]=3 209 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,1,1,0,0,0|1,0,0]=3 210 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,1,1,0,0,0|2,0,0]=4 211 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,1,1,0,0,0|1,0,0]=3 212 B8R0.12 CCCC(C)(C(=O)O)N AB12001 [0,1,1,0,0,0|0,0,0]=2 213 B8R0.12 CCC[C@@](C)(C(=O)O)N AB09816 [0,1,1,0,0,0|0,0,0]=2 214 B8R0.12 CCC[C@](C)(C(=O)O)N AB21888 [0,1,1,0,0,0|0,0,0]=2 215 B8R0.12 COCC(C(=O)O)(F)F PB38464 [0,1,1,0,0,0|2,0,0]=4 216 B8R0.12 C[C@@](CC=C)(C(=O)O)N AB04108 [0,1,1,0,0,0|0,0,2]=4 217 B8R0.12 C[C@](CC=C)(C(=O)O)N AB03939 [0,1,1,0,0,0|0,0,2]=4 218 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,1,1,0,0,0|1,0,1]=4 219 B8R0.18 CC(C)C(CN)C(=O)O AB35707 [0,1,1,0,0,0|2,0,0]=4 220 B8R0.18 CC(C)[C@@H](CN)C(=O)O AB35710 [0,1,1,0,0,0|2,0,0]=4 221 B8R0.18 CC(C)[C@H](CN)C(=O)O AB35713 [0,1,1,0,0,0|2,0,0]=4 222 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,1,0,0,0,0|0,0,2]=4 223 B8R1.1 C1[C@@H](CN[C@@H]1C#N)F AB39350 [1,1,0,0,0,0|1,0,1]=4 224 B8R1.8 C1CC(NC1)CCO CB10162 [1,1,0,0,0,0|0,0,1]=3 225 B8R1.8 C1CC(NC1)CCO PB35354 [1,1,0,0,0,0|0,0,1]=3 226 B8R1.8 C1CC(OC1)CC=O AB76318 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.8 C1CCC(C1)CON CB11464 [1,1,0,0,0,0|1,0,1]=4 228 B8R1.8 C1CCC(C1)N=C=O AB10807 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.8 C1COCC1CC=O AB75447 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.8 CCCC1CCCN1 AB12028 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.8 COC[C@@H]1CCCN1 PB10025 [1,1,0,0,0,0|0,0,1]=3 232 B8R1.8 COC[C@H]1CCCN1 PB15637 [1,1,0,0,0,0|0,0,1]=3 233 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [1,1,0,0,0,0|1,0,1]=4 234 B8R1.11 CN1CCC[C@@H]1CN PB21275 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.11 CN1CCC[C@@H]1CO PB17412 [1,1,0,0,0,0|0,0,1]=3 236 B8R1.11 CN1CCC[C@H]1CN PB34570 [1,1,0,0,0,0|1,0,1]=4 237 B8R1.52 C[C@@]1(CCCN1)CO PB37364 [1,1,0,0,0,0|0,0,1]=3 238 B8R1.52 C[C@]1(CCCN1)CO PB35769 [1,1,0,0,0,0|0,0,1]=3 239 B8R1.23 C1C(CC1=O)C(=O)O PB20916 [0,1,0,0,1,0|0,0,1]=3 240 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [0,1,0,0,1,0|0,0,0]=2 241 B8R1.23 C1C(CC1F)C(=O)O PB20399 [0,1,0,0,1,0|0,0,0]=2 242 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,1,0,0,1,0|0,0,0]=2 243 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [0,1,0,0,1,0|0,0,0]=2 244 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [0,1,0,0,1,0|0,0,0]=2 245 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,1,0,0,1,0|0,0,0]=2 246 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [0,1,0,0,1,0|0,0,0]=2 247 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [0,1,0,0,1,0|0,0,0]=2 248 B8R1.23 C1[C@@H](NC1=O)C(=O)O PB27000 [0,1,0,0,1,0|0,0,1]=3 249 B8R1.23 C1[C@H](NC1=O)C(=O)O PB21715 [0,1,0,0,1,0|0,0,1]=3 250 B8R1.23 C=C1CC(C1)C(=O)O PB25975 [0,1,0,0,1,0|0,0,1]=3 251 B8R1.23 CC(=O)N1CC(C1)N PB34955 [0,1,0,0,1,0|2,0,0]=4 252 B8R1.23 CC(=O)N1CC(C1)O PB10405 [0,1,0,0,1,0|2,0,0]=4 253 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,1,0,0,1,0|0,0,0]=2 254 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,1,0,0,1,0|1,0,0]=3 255 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,1,0,0,1,0|0,0,0]=2 256 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,1,0,0,1,0|0,0,0]=2 257 B8R1.31 C1CN(C1C(=O)O)N MB69364 [0,1,0,0,1,0|0,0,0]=2 258 B8R1.38 C1CC(C1)C(=O)NN PB29240 [0,1,0,0,1,0|1,0,0]=3 259 B8R1.38 COC(=O)C1CCN1 MB03946 [0,1,0,0,1,0|0,0,0]=2 260 B8R1.38 COC(=O)C1CNC1 CB11044 [0,1,0,0,1,0|1,0,0]=3 261 B8R1.38 COC(=O)C1CNC1 PB17252 [0,1,0,0,1,0|1,0,0]=3 262 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [0,1,0,0,1,0|0,0,0]=2 263 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [0,1,0,0,1,0|0,0,0]=2 264 B8R1.55 C1CC(C1)S(=O)(=O)Cl AB51210 [0,1,0,0,1,0|1,0,1]=4 265 B8R1.78 C1C(CN1)(C(=O)O)F PB37679 [0,1,0,0,1,0|1,0,0]=3 266 B8R1.78 C1C(CN1)(C(=O)O)N PB15076 [0,1,0,0,1,0|1,0,0]=3 267 B8R1.78 C1C(CO1)(C(=O)O)N PB22638 [0,1,0,0,1,0|1,0,0]=3 268 B8R1.78 C1C(CS1)(C(=O)O)N PB19288 [0,1,0,0,1,0|1,0,0]=3 269 B8R1.78 C1CC(C1)(C(=O)O)N PB32216 [0,1,0,0,1,0|0,0,0]=2 270 B8R1.78 CC(=O)C1(COC1)C PB19706 [0,1,0,0,1,0|2,0,0]=4 271 B8R1.78 CC1(CCC1)C(=O)O PB11149 [0,1,0,0,1,0|0,0,0]=2 272 B8R1.78 CC1(COC1)C(=O)O PB28060 [0,1,0,0,1,0|1,0,0]=3 273 B10R1.13 C1C(NCC(=O)N1)C(=O)O AB61601 [0,1,0,0,0,1|0,0,1]=3 274 B10R1.13 C1CC(=O)CCC1C(=O)O PB10093 [0,1,0,0,0,1|1,0,0]=3 275 B10R1.13 C1CC(=O)NCC1C(=O)O PB30997 [0,1,0,0,0,1|0,0,1]=3 276 B10R1.13 C1CC(CCC1C(=O)O)F AB68681 [0,1,0,0,0,1|1,0,0]=3 277 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O PB18272 [0,1,0,0,0,1|0,0,0]=2 278 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [0,1,0,0,0,1|1,0,0]=3 279 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [0,1,0,0,0,1|1,0,0]=3 280 B10R1.13 C1[C@@H](NCC(=O)N1)C(=O)O AB61607 [0,1,0,0,0,1|0,0,1]=3 281 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O AB61603 [0,1,0,0,0,1|0,0,1]=3 282 B10R1.13 CN1CCC(CC1)C(=O)N AB25815 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.13 CN1CCC(CC1)C(=O)O AB04504 [0,1,0,0,0,1|1,0,0]=3 284 B10R1.13 CN1CCC(CC1)C(=O)O PB21919 [0,1,0,0,0,1|1,0,0]=3 285 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,1,0,0,0,1|1,0,0]=3 286 B10R1.15 C1CC(COC1)C(=O)NN PB15327 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.15 C1COCCC1C(=O)NN PB29666 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.15 C1COCCN1C(=O)CO AB44986 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.15 COC(=O)C1=CCOCC1 PB14958 [0,1,0,0,0,1|1,0,1]=4 290 B10R1.15 COC(=O)C1CCCOC1 PB29711 [0,1,0,0,0,1|1,0,0]=3 291 B10R1.15 COC(=O)C1CCNCC1 AB04510 [0,1,0,0,0,1|1,0,0]=3 292 B10R1.15 COC(=O)C1CCOCC1 PB10181 [0,1,0,0,0,1|1,0,0]=3 293 B10R1.15 COC(=O)C1CCSCC1 PB17687 [0,1,0,0,0,1|1,0,0]=3 294 B10R1.15 COC(=O)[C@@H]1CCCNC1 PB34398 [0,1,0,0,0,1|0,0,0]=2 295 B10R1.15 COC(=O)[C@@H]1CNCCN1 PB16226 [0,1,0,0,0,1|0,0,0]=2 296 B10R1.15 COC(=O)[C@H]1CCCNC1 PB17641 [0,1,0,0,0,1|0,0,0]=2 297 B10R1.15 COC(=O)[C@H]1CNCCN1 PB16053 [0,1,0,0,0,1|0,0,0]=2 298 B10R1.28 C1CC(CNC1)S(=O)(=O)Cl AB69851 [0,1,0,0,0,1|1,0,1]=4 299 B10R1.28 CS(=O)(=O)C1CCCNC1 PB30175 [0,1,0,0,0,1|1,0,1]=4 300 B10R1.28 CS(=O)(=O)[C@@H]1CCCNC1 PB19508 [0,1,0,0,0,1|1,0,1]=4 301 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 PB30177 [0,1,0,0,0,1|1,0,1]=4 302 B10R1.61 C1C=CC[C@@H]([C@H]1C(=O)O)N AB03951 [0,1,0,0,0,1|1,0,1]=4 303 B10R1.61 C1C=CC[C@H]([C@H]1C(=O)O)N AB03891 [0,1,0,0,0,1|1,0,1]=4 304 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,1,0,0,0,1|1,0,0]=3 305 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)N AB50604 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,1,0,0,0,1|1,0,0]=3 307 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,1,0,0,0,1|1,0,0]=3 308 B10R1.61 C1CNC(=O)C(N1)C(=O)O AB32176 [0,1,0,0,0,1|0,0,1]=3 309 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O AB45065 [0,1,0,0,0,1|1,0,1]=4 310 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O AB46009 [0,1,0,0,0,1|1,0,1]=4 311 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,1,0,0,0,1|0,0,0]=2 312 B10R1.61 CN1CCOCC1C(=O)O AB28234 [0,1,0,0,0,1|0,0,0]=2 313 B10R1.113 C1C(NC(=O)CN1)C(=O)O AB61614 [0,1,0,0,0,1|0,0,1]=3 314 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,1,0,0,0,1|1,0,1]=4 315 B10R1.113 C1CN[C@@H](C[C@@H]1O)C(=O)O AB55088 [0,1,0,0,0,1|0,0,0]=2 316 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O AB49077 [0,1,0,0,0,1|0,0,0]=2 317 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O AB16268 [0,1,0,0,0,1|0,0,0]=2 318 B10R1.113 C1[C@@H](NC(=O)CN1)C(=O)O AB61619 [0,1,0,0,0,1|0,0,1]=3 319 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O AB61618 [0,1,0,0,0,1|0,0,1]=3 320 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,1,0,0,0,1|0,0,0]=2 321 B10R1.113 CN1CCNC(C1)C(=O)O AB25814 [0,1,0,0,0,1|0,0,0]=2 322 B10R1.113 CN1CCOC(C1)C(=O)O AB28265 [0,1,0,0,0,1|1,0,0]=3 323 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,1,0,0,0,1|0,0,0]=2 324 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,1,0,0,0,1|0,0,0]=2 325 B10R1.363 C1CNCCC1(C(=O)O)N AB11717 [0,1,0,0,0,1|1,0,0]=3 326 B10R1.363 C1CNCCC1(C(=O)O)N PB12229 [0,1,0,0,0,1|1,0,0]=3 327 B10R1.363 C1COCCC1(C(=O)O)F PB15021 [0,1,0,0,0,1|1,0,0]=3 328 B10R1.363 C1COCCC1(C(=O)O)N PB20179 [0,1,0,0,0,1|1,0,0]=3 329 B10R1.363 C1CSCCC1(C(=O)O)N AB25459 [0,1,0,0,0,1|1,0,0]=3 330 B10R1.363 CC1(CCCNC1)C(=O)O PB15028 [0,1,0,0,0,1|0,0,0]=2 331 B10R1.363 CC1(CCOCC1)C(=O)O PB34675 [0,1,0,0,0,1|1,0,0]=3 332 B10R1.363 CC1(CCSCC1)C(=O)O PB30322 [0,1,0,0,0,1|1,0,0]=3 333 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N AB15910 [0,1,0,0,0,1|1,0,0]=3 334 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N AB15907 [0,1,0,0,0,1|1,0,0]=3 335 B10R1.23 C1COCC1C(C(=O)O)N AB10007 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.27 COC(=O)C[C@@H]1CCCN1 AB58450 [0,1,0,0,0,1|0,0,0]=2 337 B10R1.54 C1CN(CC1N)CC(=O)O AB29043 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.54 C1CN(C[C@@H]1N)CC(=O)O AB29040 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.54 C1CN(C[C@@H]1O)CC(=O)O AB39264 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.54 C1CN(C[C@H]1N)CC(=O)O AB29038 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.11 C1CCC(C1)C(=O)CC#N PB32362 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.14 CN1CCC(C1)C(=O)OC AB65288 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.14 COC(=O)C1CCC(=O)C1 PB20391 [0,2,0,0,0,0|1,0,1]=4 344 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 PB27535 [0,2,0,0,0,0|1,0,1]=4 345 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N PB15463 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N PB37186 [0,2,0,0,0,0|1,0,0]=3 347 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)F AB39258 [0,2,0,0,0,0|0,0,0]=2 348 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)F AB29326 [0,2,0,0,0,0|0,0,0]=2 349 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 PB31918 [0,2,0,0,0,0|1,0,1]=4 350 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 AB08715 [0,2,0,0,0,0|0,0,1]=3 351 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N PB38858 [0,2,0,0,0,0|1,0,0]=3 352 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N PB36059 [0,2,0,0,0,0|1,0,0]=3 353 B10R1.149 COC(=O)C1COCC1=O PB18290 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB10477 [0,2,0,0,0,0|0,0,0]=2 355 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB11090 [0,2,0,0,0,0|0,0,0]=2 356 B10R1.149 COC(=O)[C@@H]1[C@H](CCN1)O PB37982 [0,2,0,0,0,0|0,0,0]=2 357 B10R1.411 CC1(CCCN1)C(=O)OC AB76260 [0,2,0,0,0,0|0,0,0]=2 358 B10R1.411 CC1(CCCO1)C(=O)OC PB30335 [0,2,0,0,0,0|1,0,0]=3 359 B10R1.411 CC1(CCOC1)C(=O)OC PB37448 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.411 COC(=O)C1(CCOC1)N PB38402 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.411 C[C@@]1(CCCN1)C(=O)OC PB38925 [0,2,0,0,0,0|0,0,0]=2 362 B10R1.411 C[C@]1(CCCN1)C(=O)OC PB36404 [0,2,0,0,0,0|0,0,0]=2 363 B10R1.194 CN1C(CCC1=O)C(=O)O MB14791 [0,2,0,0,0,0|0,0,1]=3 364 B10R1.359 C1CC(CC1C(=O)O)(F)F PB33240 [0,2,0,0,0,0|1,0,0]=3 365 B10R1.359 C1CC(C[C@@H]1C(=O)O)(F)F PB37611 [0,2,0,0,0,0|1,0,0]=3 366 B10R1.359 C1CC(C[C@H]1C(=O)O)(F)F PB33719 [0,2,0,0,0,0|1,0,0]=3 367 B10R1.359 C1CS(=O)(=O)NC1C(=O)O PB30895 [0,2,0,0,0,0|1,0,0]=3 368 B10R1.359 C1[C@@H](NCC1(F)F)C(=O)O PB38232 [0,2,0,0,0,0|0,0,0]=2 369 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O PB27295 [0,2,0,0,0,0|0,0,0]=2 370 B10R1.359 C1[C@H](NCC1(F)F)C(=O)O PB34534 [0,2,0,0,0,0|0,0,0]=2 371 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB22660 [0,2,0,0,0,0|1,0,0]=3 372 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB49830 [0,2,0,0,0,0|1,0,0]=3 373 B8R1.4 C1CNC(=O)CC1N PB11631 [0,0,1,1,0,0|2,0,0]=4 374 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,0,1,1,0,0|1,0,0]=3 375 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,0,1,1,0,0|1,0,0]=3 376 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,0,1,1,0,0|1,0,1]=4 377 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,0,1,1,0,0|1,0,1]=4 378 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,0,1,1,0,0|1,0,0]=3 379 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,0,1,1,0,0|1,0,1]=4 380 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,0,1,1,0,0|1,0,1]=4 381 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,1,1,0,0|1,0,0]=3 382 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,0,1,1,0,0|2,0,0]=4 383 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,0,1,1,0,0|2,0,0]=4 384 B8R1.72 C1CCS(=O)(=O)NC1 AB17207 [0,0,1,1,0,0|1,0,1]=4 385 B8R1.72 CC1(CCCNC1)O PB32801 [0,0,1,1,0,0|1,0,1]=4 386 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,0,1,1,0,0|2,0,0]=4 387 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,0,1,1,0,0|1,0,1]=4 388 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,0,1,1,0,0|1,0,1]=4 389 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,0,1,1,0,0|1,0,1]=4 390 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,0,1,1,0,0|1,0,1]=4 391 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,0,1,1,0,0|1,0,0]=3 392 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,0,1,1,0,0|1,0,0]=3 393 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,0,1,1,0,0|1,0,0]=3 394 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,0,1,1,0,0|2,0,0]=4 395 B8R1.5 CC1C(OCCN1)C AB72725 [0,0,1,1,0,0|1,0,1]=4 396 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,0,1,1,0,0|1,0,0]=3 397 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,0,1,1,0,0|1,0,0]=3 398 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [0,0,1,1,0,0|1,0,1]=4 399 B8R1.54 C1CC1C(C(=O)O)N CB11349 [0,0,1,1,0,0|0,0,0]=2 400 B8R1.63 C1CC1(CN)C(=O)O MB03717 [0,0,1,1,0,0|2,0,0]=4 401 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [1,0,0,1,0,0|1,0,1]=4 402 B8R2.34 C1[C@@H]2CN[C@H]1CN2 AB62663 [1,0,0,1,0,0|1,0,1]=4 403 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [1,0,0,1,0,0|0,0,1]=3 404 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [1,0,0,1,0,0|0,0,1]=3 405 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [1,0,0,1,0,0|0,0,1]=3 406 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [1,0,0,1,0,0|0,0,1]=3 407 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [1,0,0,1,0,0|0,0,1]=3 408 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [1,0,0,1,0,0|1,0,1]=4 409 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [1,0,0,1,0,0|1,0,1]=4 410 B8R2.55 C1CC2(CC2)NC1 PB38198 [1,0,0,1,0,0|1,0,1]=4 411 B8R2.66 C1C2C1(C2)C(=O)O PB24438 [0,0,0,1,1,0|0,0,0]=2 412 B10R2.61 C1CC2CC(C(C1)N2)O PB38343 [0,0,0,1,0,1|1,0,1]=4 413 B10R2.61 C1C[C@@H]2C[C@@H]([C@H](C1)N2)O PB39013 [0,0,0,1,0,1|1,0,1]=4 414 B10R2.61 C1C[C@@H]2C[C@H]([C@H](C1)N2)O PB39032 [0,0,0,1,0,1|1,0,1]=4 415 B10R2.62 C1CC2C(CC1CN2)O PB37269 [0,0,0,1,0,1|1,0,1]=4 416 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,0,0,1,0,1|2,0,0]=4 417 B10R2.344 C1C2C1(CNC2)C(=O)O PB25715 [0,0,0,1,0,1|0,0,0]=2 418 B10R2.351 C1[C@@H]2[C@@H]([C@H]2C(=O)N)CN1 PB15387 [0,0,0,1,0,1|2,0,0]=4 419 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O PB24875 [0,0,0,1,0,1|0,0,0]=2 420 B10R2.357 C1C2C1CC(C2)C(=O)O PB25532 [0,0,0,1,0,1|1,0,0]=3 421 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O PB10586 [0,0,0,1,0,1|0,0,0]=2 422 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,1,0,1|2,0,0]=4 423 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 PB18614 [0,0,0,1,0,1|1,0,0]=3 424 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)O PB17241 [0,0,0,1,0,1|1,0,1]=4 425 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)O PB24470 [0,0,0,1,0,1|1,0,1]=4 426 B10R2.71 C1C[C@H]2C[C@H](C[C@@H]1N2)O PB32100 [0,0,0,1,0,1|1,0,1]=4 427 B10R2.316 C1CCC2(C1)CC(=O)N2 PB38878 [0,0,0,1,0,1|2,0,0]=4 428 B10R2.32 C1CC2C(=O)CCN2C1 AB27646 [0,1,0,1,0,0|1,0,0]=3 429 B10R2.32 C1CN[C@H]2[C@@H]1CNC2=O PB31139 [0,1,0,1,0,0|1,0,0]=3 430 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,1,0,1,0,0|1,0,0]=3 431 B10R2.178 C1CC2C(CCC1N2)O PB38793 [0,1,0,1,0,0|1,0,1]=4 432 B10R2.348 C1[C@]2(NC[C@@H]1C2)C(=O)O PB25057 [0,1,0,1,0,0|0,0,0]=2 433 B6R1.6 C1C(CN1)CO PB34326 [1,0,0,0,1,0|1,0,1]=4 434 B6R1.6 C1C(CO1)C=O AB76630 [1,0,0,0,1,0|1,0,0]=3 435 B6R1.6 C1C(CO1)CO PB28641 [1,0,0,0,1,0|1,0,1]=4 436 B6R1.6 C1CC(C1)CN PB27388 [1,0,0,0,1,0|1,0,1]=4 437 B6R1.6 C1CNC1CN PB33610 [1,0,0,0,1,0|1,0,1]=4 438 B6R1.6 C1CNC1CO PB21145 [1,0,0,0,1,0|0,0,1]=3 439 B6R1.6 C1CN[C@H]1CO PB13255 [1,0,0,0,1,0|0,0,1]=3 440 B6R1.6 C1COC1CO PB20918 [1,0,0,0,1,0|1,0,1]=4 441 B6R1.11 B(C1CC1)(O)O AB17174 [0,0,0,0,2,0|1,0,1]=4 442 B6R1.11 C1CC1C(=S)N AB50595 [0,0,0,0,2,0|1,1,0]=4 443 B8R1.2 C#CC1CCCNC1 PB26666 [1,0,0,0,0,1|1,0,1]=4 444 B8R1.2 C1CC(CNC1)C#N AB09048 [1,0,0,0,0,1|1,0,1]=4 445 B8R1.2 C1CC(CNC1)C#N PB31344 [1,0,0,0,0,1|1,0,1]=4 446 B8R1.2 C1CC(CNC1)CN AB17390 [1,0,0,0,0,1|1,0,1]=4 447 B8R1.2 C1CC(CNC1)CO PB21599 [1,0,0,0,0,1|0,0,1]=3 448 B8R1.2 C1CC(COC1)C=O AB16155 [1,0,0,0,0,1|1,0,0]=3 449 B8R1.2 C1CC(COC1)CO PB12514 [1,0,0,0,0,1|1,0,1]=4 450 B8R1.2 C1CC(OC=C1)C=O PB24581 [1,0,0,0,0,1|1,0,1]=4 451 B8R1.2 C1CCNC(C1)C#N AB13841 [1,0,0,0,0,1|1,0,1]=4 452 B8R1.2 C1CCNC(C1)C=O AB52540 [1,0,0,0,0,1|0,0,0]=2 453 B8R1.2 C1CCOC(C1)C=O MB05934 [1,0,0,0,0,1|1,0,0]=3 454 B8R1.2 C1CCOC(C1)CO AB00784 [1,0,0,0,0,1|1,0,1]=4 455 B8R1.2 C1CNCCC1C=O AB52543 [1,0,0,0,0,1|1,0,0]=3 456 B8R1.2 C1CNCCC1CO PB10118 [1,0,0,0,0,1|1,0,1]=4 457 B8R1.2 C1COCC(N1)C#N AB53762 [1,0,0,0,0,1|1,0,1]=4 458 B8R1.2 C1COCC(N1)CO AB17137 [1,0,0,0,0,1|0,0,1]=3 459 B8R1.2 C1COCCC1C=O AB14645 [1,0,0,0,0,1|1,0,0]=3 460 B8R1.2 C1COCCC1CO PB18487 [1,0,0,0,0,1|1,0,1]=4 461 B8R1.2 C1COC[C@@H](N1)CN AB71789 [1,0,0,0,0,1|1,0,1]=4 462 B8R1.2 C1COC[C@@H](N1)CO AB29968 [1,0,0,0,0,1|0,0,1]=3 463 B8R1.2 C1CSCCC1C=O AB14650 [1,0,0,0,0,1|1,0,0]=3 464 B8R1.2 C1CSCCC1CO PB28111 [1,0,0,0,0,1|1,0,1]=4 465 B8R1.2 C1C[C@@H](CNC1)C#N PB37391 [1,0,0,0,0,1|1,0,1]=4 466 B8R1.2 C1C[C@H](CNC1)C#N PB37352 [1,0,0,0,0,1|1,0,1]=4 467 B8R1.2 CCC1CNCCN1 AB13949 [1,0,0,0,0,1|1,0,1]=4 468 B8R1.2 CCC1COCCN1 AB49617 [1,0,0,0,0,1|1,0,1]=4 469 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [1,0,0,0,0,1|1,0,1]=4 470 B8R1.2 COC1CCCNC1 PB14414 [1,0,0,0,0,1|2,0,0]=4 471 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [1,0,0,0,0,1|2,0,0]=4 472 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [1,0,0,0,0,1|2,0,0]=4 473 B8R1.2 CO[C@H]1CCCNC1 PB13690 [1,0,0,0,0,1|2,0,0]=4 474 B8R1.2 CO[C@H]1CCCNC1 PB31836 [1,0,0,0,0,1|2,0,0]=4 475 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [0,0,0,0,0,2|0,0,0]=2 476 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [0,0,0,0,0,2|2,0,0]=4 477 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [0,0,0,0,0,2|0,0,0]=2 478 B10R1.18 C1CN(CCN1)CC(=O)O AB13768 [0,0,0,0,0,2|2,0,0]=4 479 B10R1.18 C1CNCCC1CC(=O)N PB30145 [0,0,0,0,0,2|2,0,0]=4 480 B10R1.18 C1CNCCC1CC(=O)O PB18605 [0,0,0,0,0,2|1,0,0]=3 481 B10R1.18 C1COC(CN1)CC(=O)O AB17145 [0,0,0,0,0,2|1,0,0]=3 482 B10R1.18 C1COCC(N1)CC(=O)O PB27599 [0,0,0,0,0,2|0,0,0]=2 483 B10R1.18 C1COCCC1=CC(=O)O AB18107 [0,0,0,0,0,2|1,0,1]=4 484 B10R1.18 C1COCCC1CC(=O)O PB33952 [0,0,0,0,0,2|1,0,0]=3 485 B10R1.18 C1COC[C@@H](N1)CC(=O)O MB69354 [0,0,0,0,0,2|0,0,0]=2 486 B10R1.18 C1COC[C@H](N1)CC(=O)O MB69353 [0,0,0,0,0,2|0,0,0]=2 487 B10R1.18 C1CO[C@@H](CN1)CC(=O)O MB15018 [0,0,0,0,0,2|1,0,0]=3 488 B10R1.18 C1CO[C@H](CN1)CC(=O)O MB15022 [0,0,0,0,0,2|1,0,0]=3 489 B10R1.18 C1CSCCN1CC(=O)O AB16490 [0,0,0,0,0,2|2,0,0]=4 490 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [0,0,0,0,0,2|0,0,0]=2 491 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [0,0,0,0,0,2|0,0,0]=2 492 B10R1.18 CC(=O)OC1CCCCS1 AB31207 [0,0,0,0,0,2|2,0,0]=4 493 B10R1.18 CC(=O)SC1CCOCC1 AB76313 [0,0,0,0,0,2|2,0,0]=4 494 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [0,0,0,0,0,2|0,0,0]=2