0 B7R1.4 BrC1=C(Br)CCC1 1P003DUF [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 BrC1=CCCC1N 1P028PKZ [0,0,0,0,0,0|3,0,1]=4 2 B7R1.4 BrC1=CCCC1O 1P004QOV [0,0,0,0,0,0|3,0,1]=4 3 B7R1.4 BrC1CCCC1C 1P01APKT [0,0,0,0,0,0|2,0,1]=3 4 B7R1.4 BrC1CCCC1N 1P019ZLA [0,0,0,0,0,0|3,0,1]=4 5 B7R1.4 BrC1CCCC1O 1P005CWJ [0,0,0,0,0,0|2,0,2]=4 6 B7R1.4 Br[C@@H]1CCC[C@@H]1O 1P00BWF7 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.4 Br[C@@H]1CCC[C@H]1Br 1P0007MB [0,0,0,0,0,0|3,0,1]=4 8 B7R1.4 Br[C@H]1CCC[C@H]1C 1P0285VB [0,0,0,0,0,0|2,0,1]=3 9 B7R1.4 Brc1ccsc1C 1P00307X [0,0,0,0,0,0|1,0,3]=4 10 B7R1.4 Brc1cnsc1C 1P01A0EI [0,0,0,0,0,0|2,0,2]=4 11 B7R1.4 Brc1ncsc1C 1P0010UV [0,0,0,0,0,0|2,0,2]=4 12 B7R1.4 C=C1CCCC1O 1P002A2S [0,0,0,0,0,0|3,0,0]=3 13 B7R1.4 C=C1CCOC1=O 1P003O91 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.4 C=C1COCC1N 1P01FIHO [0,0,0,0,0,0|4,0,0]=4 15 B7R1.4 C=C1COCC1N 1P01FIHP [0,0,0,0,0,0|4,0,0]=4 16 B7R1.4 C=C1COCC1O 1P028FM7 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.4 CC1=C(C)CCO1 1P001LLM [0,0,0,0,0,0|1,1,1]=3 18 B7R1.4 CC1=C(C)CNC1 1P025GHU [0,0,0,0,0,0|3,0,1]=4 19 B7R1.4 CC1C=NNC1=O 1P0014T0 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 CC1CCCC1C 1P002OVL [0,0,0,0,0,0|2,0,1]=3 21 B7R1.4 CC1CNCC1C 1P00ICYK [0,0,0,0,0,0|3,0,1]=4 22 B7R1.4 CC1NCCC1C 1P019UAJ [0,0,0,0,0,0|2,0,1]=3 23 B7R1.4 CN1N=CCC1=O 1P0007PE [0,0,0,0,0,0|2,0,1]=3 24 B7R1.4 C[C@@H]1CNC[C@@H]1C 1P00J2M9 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.4 C[C@@H]1CNC[C@H]1C 1P00J2M8 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.4 Cc1s[c-]nc1C 1P00GSB6 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.4 Cc1scnc1C 1P0034BY [0,0,0,0,0,0|2,0,2]=4 28 B7R1.4 ClC1CCCC1N 1P018SNK [0,0,0,0,0,0|3,0,1]=4 29 B7R1.4 ClC1OCCC1Cl 1P003FYI [0,0,0,0,0,0|2,1,1]=4 30 B7R1.4 Cl[C@@H]1CCC[C@@H]1O 1P007QXK [0,0,0,0,0,0|2,0,2]=4 31 B7R1.4 Clc1ccsc1C 1P007WBT [0,0,0,0,0,0|1,0,3]=4 32 B7R1.4 Cn1[nH]ccc1=O 1P00CJF7 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.4 Cn1cc[nH]c1=O 1P0037ZK [0,0,0,0,0,0|3,0,1]=4 34 B7R1.4 Cn1ccoc1=O 1P0283EE [0,0,0,0,0,0|3,0,1]=4 35 B7R1.4 Cn1sccc1=O 1P002SGM [0,0,0,0,0,0|1,0,2]=3 36 B7R1.4 Cn1sccc1=O 1P01FT0U [0,0,0,0,0,0|1,0,2]=3 37 B7R1.4 F[C@@H]1CCC[C@@H]1N 1P01ANCG [0,0,0,0,0,0|3,0,1]=4 38 B7R1.4 F[C@@H]1CCC[C@H]1N 1P00IL9Y [0,0,0,0,0,0|3,0,1]=4 39 B7R1.4 F[C@@H]1CCC[C@H]1O 1P007NEZ [0,0,0,0,0,0|2,0,2]=4 40 B7R1.4 F[C@H]1CCC[C@@H]1N 1P0205LB [0,0,0,0,0,0|3,0,1]=4 41 B7R1.4 F[C@H]1CCC[C@@H]1O 1P01ALS0 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.4 F[C@H]1CCC[C@H]1N 1P01ANCE [0,0,0,0,0,0|3,0,1]=4 43 B7R1.4 F[C@H]1CNC[C@H]1C 1P00I3RW [0,0,0,0,0,0|3,0,1]=4 44 B7R1.4 IC1=CCCC1O 1P028YM3 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.4 I[C@@H]1CCC[C@H]1O 1P027UTY [0,0,0,0,0,0|2,0,2]=4 46 B7R1.4 N=C1CCCN1C 1P01A0UP [0,0,0,0,0,0|3,0,0]=3 47 B7R1.4 N=C1SCCN1C 1P00CAM9 [0,0,0,0,0,0|3,0,1]=4 48 B7R1.4 NC1=NCCN1C 1P01A6IA [0,0,0,0,0,0|4,0,0]=4 49 B7R1.4 NC1CCCC1C 1P00DJ2G [0,0,0,0,0,0|2,0,1]=3 50 B7R1.4 NC1CCCC1N 1P009X4W [0,0,0,0,0,0|3,0,1]=4 51 B7R1.4 NC1CCSC1C 1P01C5GM [0,0,0,0,0,0|1,0,1]=2 52 B7R1.4 NC1CNCC1C 1P01BJ5V [0,0,0,0,0,0|3,0,1]=4 53 B7R1.4 NC1COCC1C 1P01B6KT [0,0,0,0,0,0|3,0,1]=4 54 B7R1.4 NC1CONC1=O 1P00359G [0,0,0,0,0,0|4,0,0]=4 55 B7R1.4 NC1CSCC1C 1P01BAM2 [0,0,0,0,0,0|3,0,1]=4 56 B7R1.4 N[C@@H]1CCC[C@@H]1C 1P00HABK [0,0,0,0,0,0|2,0,1]=3 57 B7R1.4 N[C@@H]1CCC[C@@H]1N 1P0032JQ [0,0,0,0,0,0|3,0,1]=4 58 B7R1.4 N[C@@H]1CCC[C@H]1C 1P0280A3 [0,0,0,0,0,0|2,0,1]=3 59 B7R1.4 N[C@@H]1CCC[C@H]1N 1P00IKQH [0,0,0,0,0,0|3,0,1]=4 60 B7R1.4 N[C@@H]1CCO[C@@H]1C 1P00I0QF [0,0,0,0,0,0|1,1,1]=3 61 B7R1.4 N[C@@H]1CONC1=O 1P00IC8N [0,0,0,0,0,0|4,0,0]=4 62 B7R1.4 N[C@H]1CNC[C@H]1C 1P01JUWU [0,0,0,0,0,0|3,0,1]=4 63 B7R1.4 N[C@H]1COC[C@H]1C 1P0280JR [0,0,0,0,0,0|3,0,1]=4 64 B7R1.4 N[C@H]1CONC1=O 1P0035JY [0,0,0,0,0,0|4,0,0]=4 65 B7R1.4 Nc1ccsc1C 1P01BRMN [0,0,0,0,0,0|1,0,3]=4 66 B7R1.4 Nc1cnsc1C 1P0284VU [0,0,0,0,0,0|2,0,2]=4 67 B7R1.4 Nc1ncsc1C 1P01BVRP [0,0,0,0,0,0|2,0,2]=4 68 B7R1.4 Nc1ncsc1C 1P01BVRQ [0,0,0,0,0,0|2,0,2]=4 69 B7R1.4 O=C1C=CCN1C 1P001BMC [0,0,0,0,0,0|2,0,2]=4 70 B7R1.4 O=C1CCC=C1Br 1P008UEE [0,0,0,0,0,0|2,0,1]=3 71 B7R1.4 O=C1CCC=C1C 1P0033UM [0,0,0,0,0,0|1,0,1]=2 72 B7R1.4 O=C1CCC=C1I 1P00CN3A [0,0,0,0,0,0|2,0,1]=3 73 B7R1.4 O=C1CCC=C1O 1P0036LG [0,0,0,0,0,0|2,0,1]=3 74 B7R1.4 O=C1CCCC1=O 1P0038K1 [0,0,0,0,0,0|2,0,1]=3 75 B7R1.4 O=C1CCCC1Br 1P006YX5 [0,0,0,0,0,0|2,0,0]=2 76 B7R1.4 O=C1CCCC1C 1P008SEF [0,0,0,0,0,0|1,0,0]=1 77 B7R1.4 O=C1CCCC1Cl 1P005MKG [0,0,0,0,0,0|2,0,0]=2 78 B7R1.4 O=C1CCCC1N 1P00J8QM [0,0,0,0,0,0|2,0,0]=2 79 B7R1.4 O=C1CCCC1O 1P00DLEF [0,0,0,0,0,0|2,0,0]=2 80 B7R1.4 O=C1CCCN1C 1P0035UV [0,0,0,0,0,0|2,0,0]=2 81 B7R1.4 O=C1CCCN1N 1P0029LU [0,0,0,0,0,0|3,0,0]=3 82 B7R1.4 O=C1CCCN1N 1P005RO5 [0,0,0,0,0,0|3,0,0]=3 83 B7R1.4 O=C1CCC[C@H]1F 1P028FZZ [0,0,0,0,0,0|2,0,0]=2 84 B7R1.4 O=C1CCNC1C 1P02877G [0,0,0,0,0,0|1,0,0]=1 85 B7R1.4 O=C1CCOC1C 1P003V5J [0,0,0,0,0,0|0,1,0]=1 86 B7R1.4 O=C1CCSC1C 1P0012U4 [0,0,0,0,0,0|0,0,0]=0 87 B7R1.4 O=C1CNCN1C 1P01A57S [0,0,0,0,0,0|3,0,0]=3 88 B7R1.4 O=C1CNCN1C 1P01AF87 [0,0,0,0,0,0|3,0,0]=3 89 B7R1.4 O=C1COCC1C 1P01B6KD [0,0,0,0,0,0|2,0,0]=2 90 B7R1.4 O=C1CSCC1C 1P006YBW [0,0,0,0,0,0|2,0,0]=2 91 B7R1.4 O=C1NCCC1Br 1P00C7B0 [0,0,0,0,0,0|3,0,0]=3 92 B7R1.4 O=C1NCCC1C 1P00BDOY [0,0,0,0,0,0|2,0,0]=2 93 B7R1.4 O=C1NCCC1Cl 1P00KB6W [0,0,0,0,0,0|3,0,0]=3 94 B7R1.4 O=C1NCCC1F 1P024NNW [0,0,0,0,0,0|3,0,0]=3 95 B7R1.4 O=C1NCCC1N 1P000IFA [0,0,0,0,0,0|3,0,0]=3 96 B7R1.4 O=C1NCCC1O 1P00ACH1 [0,0,0,0,0,0|3,0,0]=3 97 B7R1.4 O=C1NCCN1C 1P0038Y4 [0,0,0,0,0,0|3,0,0]=3 98 B7R1.4 O=C1NCCN1N 1P00C7B3 [0,0,0,0,0,0|4,0,0]=4 99 B7R1.4 O=C1NCC[C@@H]1F 1P0204HG [0,0,0,0,0,0|3,0,0]=3 100 B7R1.4 O=C1NCC[C@@H]1N 1P0037IQ [0,0,0,0,0,0|3,0,0]=3 101 B7R1.4 O=C1NCC[C@@H]1N 1P00737U [0,0,0,0,0,0|3,0,0]=3 102 B7R1.4 O=C1NCC[C@@H]1O 1P003D2P [0,0,0,0,0,0|3,0,0]=3 103 B7R1.4 O=C1NCC[C@H]1C 1P01DXX5 [0,0,0,0,0,0|2,0,0]=2 104 B7R1.4 O=C1NCC[C@H]1F 1P00K9Y2 [0,0,0,0,0,0|3,0,0]=3 105 B7R1.4 O=C1NCC[C@H]1N 1P0036IE [0,0,0,0,0,0|3,0,0]=3 106 B7R1.4 O=C1NCC[C@H]1N 1P006Z7M [0,0,0,0,0,0|3,0,0]=3 107 B7R1.4 O=C1NCC[C@H]1O 1P003717 [0,0,0,0,0,0|3,0,0]=3 108 B7R1.4 O=C1OC=CC1Br 1P0056VE [0,0,0,0,0,0|3,0,1]=4 109 B7R1.4 O=C1OCC=C1C 1P003K5L [0,0,0,0,0,0|2,0,1]=3 110 B7R1.4 O=C1OCC=C1Cl 1P0032D1 [0,0,0,0,0,0|3,0,1]=4 111 B7R1.4 O=C1OCC=C1N 1P00I73J [0,0,0,0,0,0|3,0,1]=4 112 B7R1.4 O=C1OCCC1Br 1P003VWE [0,0,0,0,0,0|3,0,0]=3 113 B7R1.4 O=C1OCCC1C 1P0039WP [0,0,0,0,0,0|2,0,0]=2 114 B7R1.4 O=C1OCCC1N 1P000ISK [0,0,0,0,0,0|3,0,0]=3 115 B7R1.4 O=C1OCCC1N 1P0039XO [0,0,0,0,0,0|3,0,0]=3 116 B7R1.4 O=C1OCCC1N 1P003O8H [0,0,0,0,0,0|3,0,0]=3 117 B7R1.4 O=C1OCCC1O 1P00I3IV [0,0,0,0,0,0|3,0,0]=3 118 B7R1.4 O=C1OCCC1S 1P001CQF [0,0,0,0,0,0|3,0,0]=3 119 B7R1.4 O=C1OCCN1C 1P002BY1 [0,0,0,0,0,0|3,0,0]=3 120 B7R1.4 O=C1OCCN1N 1P00341H [0,0,0,0,0,0|4,0,0]=4 121 B7R1.4 O=C1OCC[C@@H]1N 1P003CUP [0,0,0,0,0,0|3,0,0]=3 122 B7R1.4 O=C1OCC[C@@H]1N 1P00I4P8 [0,0,0,0,0,0|3,0,0]=3 123 B7R1.4 O=C1OCC[C@@H]1O 1P00DEAA [0,0,0,0,0,0|3,0,0]=3 124 B7R1.4 O=C1OCC[C@H]1N 1P00355Q [0,0,0,0,0,0|3,0,0]=3 125 B7R1.4 O=C1OCC[C@H]1N 1P00DJY6 [0,0,0,0,0,0|3,0,0]=3 126 B7R1.4 O=C1OCC[C@H]1O 1P0032VV [0,0,0,0,0,0|3,0,0]=3 127 B7R1.4 O=C1SCCC1N 1P003A2J [0,0,0,0,0,0|3,0,0]=3 128 B7R1.4 O=C1SCC[C@@H]1N 1P00BYQS [0,0,0,0,0,0|3,0,0]=3 129 B7R1.4 OC1CCCC1C 1P003I5T [0,0,0,0,0,0|1,0,2]=3 130 B7R1.4 OC1CCCC1N 1P0063PU [0,0,0,0,0,0|2,0,2]=4 131 B7R1.4 OC1CCCC1O 1P003DTU [0,0,0,0,0,0|2,0,2]=4 132 B7R1.4 OC1CCOC1C 1P01ADF1 [0,0,0,0,0,0|0,1,2]=3 133 B7R1.4 OC1CCSC1C 1P019UA5 [0,0,0,0,0,0|0,0,2]=2 134 B7R1.4 OC1CNCC1C 1P00B7NZ [0,0,0,0,0,0|2,0,2]=4 135 B7R1.4 O[C@@H]1CCC[C@@H]1C 1P002R27 [0,0,0,0,0,0|1,0,2]=3 136 B7R1.4 O[C@@H]1CCC[C@@H]1N 1P0013H6 [0,0,0,0,0,0|2,0,2]=4 137 B7R1.4 O[C@@H]1CCC[C@@H]1O 1P00DCJ3 [0,0,0,0,0,0|2,0,2]=4 138 B7R1.4 O[C@@H]1CCC[C@H]1C 1P002R28 [0,0,0,0,0,0|1,0,2]=3 139 B7R1.4 O[C@@H]1CCC[C@H]1N 1P003662 [0,0,0,0,0,0|2,0,2]=4 140 B7R1.4 O[C@@H]1CCC[C@H]1O 1P003BES [0,0,0,0,0,0|2,0,2]=4 141 B7R1.4 O[C@@H]1CCN[C@H]1C 1P01B8DB [0,0,0,0,0,0|1,0,2]=3 142 B7R1.4 O[C@@H]1CNC[C@H]1C 1P028P0R [0,0,0,0,0,0|2,0,2]=4 143 B7R1.4 O[C@@H]1COC[C@H]1C 1P028HPJ [0,0,0,0,0,0|2,0,2]=4 144 B7R1.4 O[C@H]1CCC[C@@H]1C 1P01E8JT [0,0,0,0,0,0|1,0,2]=3 145 B7R1.4 O[C@H]1CCC[C@@H]1N 1P003663 [0,0,0,0,0,0|2,0,2]=4 146 B7R1.4 O[C@H]1CCC[C@@H]1N 1P00EI3F [0,0,0,0,0,0|2,0,2]=4 147 B7R1.4 O[C@H]1CCC[C@@H]1N 1P00I6HD [0,0,0,0,0,0|2,0,2]=4 148 B7R1.4 O[C@H]1CCC[C@@H]1O 1P00E936 [0,0,0,0,0,0|2,0,2]=4 149 B7R1.4 O[C@H]1CCC[C@H]1N 1P00352Q [0,0,0,0,0,0|2,0,2]=4 150 B7R1.4 O[C@H]1CCN[C@@H]1C 1P01PAQL [0,0,0,0,0,0|1,0,2]=3 151 B7R1.4 O[C@H]1CCN[C@H]1C 1P01E88W [0,0,0,0,0,0|1,0,2]=3 152 B7R1.4 O[C@H]1CNC[C@@H]1C 1P002TYQ [0,0,0,0,0,0|2,0,2]=4 153 B7R1.4 O[C@H]1CNC[C@H]1C 1P002TZU [0,0,0,0,0,0|2,0,2]=4 154 B7R1.4 O[C@H]1CNC[C@H]1C 1P01K8GK [0,0,0,0,0,0|2,0,2]=4 155 B7R1.4 O[C@H]1COC[C@@H]1C 1P00I856 [0,0,0,0,0,0|2,0,2]=4 156 B7R1.4 O[C@H]1COC[C@H]1C 1P027N5M [0,0,0,0,0,0|2,0,2]=4 157 B7R1.4 S=C1CCCN1C 1P003EZL [0,0,0,0,0,0|2,1,0]=3 158 B7R1.4 S=C1NCCN1C 1P00HTR3 [0,0,0,0,0,0|3,1,0]=4 159 B7R1.4 S=C1SCCN1C 1P002FAT [0,0,0,0,0,0|3,0,1]=4 160 B7R1.4 SC1CCOC1C 1P003I7F [0,0,0,0,0,0|0,2,1]=3 161 B6R1.2 BrC1=CCCC1 1P000ISQ [1,0,0,0,0,0|2,0,1]=4 162 B6R1.2 BrC1=COCC1 1P01BCHP [1,0,0,0,0,0|1,1,1]=4 163 B6R1.2 BrC1=NOCC1 1P00BVER [1,0,0,0,0,0|2,1,0]=4 164 B6R1.2 BrC1CCCC1 1P00134Y [1,0,0,0,0,0|2,0,1]=4 165 B6R1.2 BrC1CNCC1 1P000SXO [1,0,0,0,0,0|2,0,1]=4 166 B6R1.2 BrC1CNCC1 1P00IJDM [1,0,0,0,0,0|2,0,1]=4 167 B6R1.2 BrC1COCC1 1P00AP8A [1,0,0,0,0,0|1,1,1]=4 168 B6R1.2 BrC1CSCC1 1P01AUS9 [1,0,0,0,0,0|1,0,1]=3 169 B6R1.2 Br[C@@H]1CNCC1 1P01DWDA [1,0,0,0,0,0|2,0,1]=4 170 B6R1.2 Br[C@@H]1COCC1 1P028W1C [1,0,0,0,0,0|1,1,1]=4 171 B6R1.2 Br[C@H]1CNCC1 1P00AB63 [1,0,0,0,0,0|2,0,1]=4 172 B6R1.2 Br[C@H]1COCC1 1P028VM2 [1,0,0,0,0,0|1,1,1]=4 173 B6R1.2 C1C=NNC1=O 1P00134X [1,0,0,0,0,0|2,0,1]=4 174 B6R1.2 C1C=NOC1=O 1P0082VF [1,0,0,0,0,0|2,0,1]=4 175 B6R1.2 C1CNNC1=O 1P0020VF [1,0,0,0,0,0|2,0,0]=3 176 B6R1.2 C1CONC1=O 1P000ISP [1,0,0,0,0,0|1,1,0]=3 177 B6R1.2 C1NC(=O)C=C1 1P0037XN [1,0,0,0,0,0|2,0,1]=4 178 B6R1.2 C1NCNC1=O 1P0013LS [1,0,0,0,0,0|2,0,0]=3 179 B6R1.2 C1OC(=O)C=C1 1P0037VR [1,0,0,0,0,0|2,0,1]=4 180 B6R1.2 C1OC=CC1=O 1P01HH13 [1,0,0,0,0,0|0,1,2]=4 181 B6R1.2 C1SC(=O)C=C1 1P00CB5Q [1,0,0,0,0,0|1,0,2]=4 182 B6R1.2 C1SCNC1=O 1P01DZQ4 [1,0,0,0,0,0|1,0,0]=2 183 B6R1.2 C=C1CCCC1 1P003SKL [1,0,0,0,0,0|2,0,0]=3 184 B6R1.2 C=C1CNCC1 1P00HYRP [1,0,0,0,0,0|2,0,0]=3 185 B6R1.2 C=C1CONC1 1P01FIH5 [1,0,0,0,0,0|2,1,0]=4 186 B6R1.2 C=C1CSCC1 1P01FPQV [1,0,0,0,0,0|1,0,0]=2 187 B6R1.2 CC1=CCCO1 1P001LLN [1,0,0,0,0,0|0,1,1]=3 188 B6R1.2 CC1=CCNC1 1P028YTC [1,0,0,0,0,0|2,0,1]=4 189 B6R1.2 CC1=NCCC1 1P0036ML [1,0,0,0,0,0|1,0,2]=4 190 B6R1.2 CC1=NCCN1 1P003I2K [1,0,0,0,0,0|2,0,1]=4 191 B6R1.2 CC1=NCCO1 1P003BPP [1,0,0,0,0,0|1,1,1]=4 192 B6R1.2 CC1=NCCS1 1P002NSB [1,0,0,0,0,0|1,0,1]=3 193 B6R1.2 CC1CCCN1 1P003I73 [1,0,0,0,0,0|1,0,1]=3 194 B6R1.2 CC1CCCO1 1P0036DT [1,0,0,0,0,0|0,1,1]=3 195 B6R1.2 CC1CNCC1 1P008SOQ [1,0,0,0,0,0|2,0,1]=4 196 B6R1.2 CC1CNCS1 1P01DWT5 [1,0,0,0,0,0|1,0,1]=3 197 B6R1.2 CC1COCC1 1P00348B [1,0,0,0,0,0|1,1,1]=4 198 B6R1.2 CC1CSCN1 1P01DWT6 [1,0,0,0,0,0|2,0,1]=4 199 B6R1.2 CC1OCCO1 1P003I1L [1,0,0,0,0,0|1,1,0]=3 200 B6R1.2 CC1SCCS1 1P003I1O [1,0,0,0,0,0|1,0,0]=2 201 B6R1.2 CN1CCCC1 1P000QI1 [1,0,0,0,0,0|2,0,1]=4 202 B6R1.2 CN1CNCC1 1P01NMBZ [1,0,0,0,0,0|3,0,0]=4 203 B6R1.2 CN1COCC1 1P007ME8 [1,0,0,0,0,0|2,1,0]=4 204 B6R1.2 C[C@@H]1CCCN1 1P003CPV [1,0,0,0,0,0|1,0,1]=3 205 B6R1.2 C[C@@H]1CCCN1 1P003CPW [1,0,0,0,0,0|1,0,1]=3 206 B6R1.2 C[C@@H]1CNCC1 1P0039DE [1,0,0,0,0,0|2,0,1]=4 207 B6R1.2 C[C@@H]1CNCO1 1P028LUQ [1,0,0,0,0,0|1,1,1]=4 208 B6R1.2 C[C@@H]1CNCS1 1P02839S [1,0,0,0,0,0|1,0,1]=3 209 B6R1.2 C[C@H]1CCCN1 1P00206M [1,0,0,0,0,0|1,0,1]=3 210 B6R1.2 C[C@H]1CCCN1 1P0032OA [1,0,0,0,0,0|1,0,1]=3 211 B6R1.2 C[C@H]1CNCC1 1P002NXA [1,0,0,0,0,0|2,0,1]=4 212 B6R1.2 C[C@H]1CNCO1 1P028LZ2 [1,0,0,0,0,0|1,1,1]=4 213 B6R1.2 C[C@H]1CNCS1 1P0283O1 [1,0,0,0,0,0|1,0,1]=3 214 B6R1.2 C[S+]1CCCC1 1P002WBP [1,0,0,0,0,0|2,0,1]=4 215 B6R1.2 Cc1ccns1 1P00FD3O [1,0,0,0,0,0|1,0,2]=4 216 B6R1.2 Cc1cncs1 1P003ND8 [1,0,0,0,0,0|1,0,2]=4 217 B6R1.2 ClC1=CCCC1 1P003ENR [1,0,0,0,0,0|2,0,1]=4 218 B6R1.2 ClC1CCC=C1 1P00687X [1,0,0,0,0,0|2,0,1]=4 219 B6R1.2 ClC1CCCC1 1P0067BI [1,0,0,0,0,0|2,0,1]=4 220 B6R1.2 ClC1CNCC1 1P008TPJ [1,0,0,0,0,0|2,0,1]=4 221 B6R1.2 ClC1COCC1 1P00AQGV [1,0,0,0,0,0|1,1,1]=4 222 B6R1.2 Cl[C@@H]1CNCC1 1P0099OX [1,0,0,0,0,0|2,0,1]=4 223 B6R1.2 Cl[C@H]1CNCC1 1P01DDDX [1,0,0,0,0,0|2,0,1]=4 224 B6R1.2 FC1=CCNC1 1P0204LU [1,0,0,0,0,0|2,0,1]=4 225 B6R1.2 FC1CCCC1 1P001FX4 [1,0,0,0,0,0|2,0,1]=4 226 B6R1.2 FC1CNCC1 1P007VBD [1,0,0,0,0,0|2,0,1]=4 227 B6R1.2 F[C@@H]1CNCC1 1P0012QJ [1,0,0,0,0,0|2,0,1]=4 228 B6R1.2 F[C@H]1CNCC1 1P0012QH [1,0,0,0,0,0|2,0,1]=4 229 B6R1.2 F[C@H]1CNCC1 1P00FEUM [1,0,0,0,0,0|2,0,1]=4 230 B6R1.2 IC1=CCCC1 1P00AYUI [1,0,0,0,0,0|2,0,1]=4 231 B6R1.2 IC1=COCC1 1P01JVAB [1,0,0,0,0,0|1,1,1]=4 232 B6R1.2 IC1CCCC1 1P001OIB [1,0,0,0,0,0|2,0,1]=4 233 B6R1.2 IC1CNCC1 1P01DY29 [1,0,0,0,0,0|2,0,1]=4 234 B6R1.2 IC1COCC1 1P008USV [1,0,0,0,0,0|1,1,1]=4 235 B6R1.2 I[C@@H]1COCC1 1P00GVTR [1,0,0,0,0,0|1,1,1]=4 236 B6R1.2 I[C@H]1COCC1 1P00GVTQ [1,0,0,0,0,0|1,1,1]=4 237 B6R1.2 N=C1CCCS1 1P00DAVZ [1,0,0,0,0,0|1,0,2]=4 238 B6R1.2 NC1=NCCC1 1P005L7K [1,0,0,0,0,0|3,0,0]=4 239 B6R1.2 NC1=NCCS1 1P00262F [1,0,0,0,0,0|2,0,1]=4 240 B6R1.2 NC1=NCCS1 1P0033JJ [1,0,0,0,0,0|2,0,1]=4 241 B6R1.2 NC1=NOCC1 1P024SP2 [1,0,0,0,0,0|2,1,0]=4 242 B6R1.2 NC1CCC=C1 1P00J3BD [1,0,0,0,0,0|2,0,1]=4 243 B6R1.2 NC1CCCC1 1P0001YL [1,0,0,0,0,0|2,0,1]=4 244 B6R1.2 NC1CNCC1 1P003JES [1,0,0,0,0,0|2,0,1]=4 245 B6R1.2 NC1CNCC1 1P003JET [1,0,0,0,0,0|2,0,1]=4 246 B6R1.2 NC1COCC1 1P002A0U [1,0,0,0,0,0|1,1,1]=4 247 B6R1.2 NC1COCC1 1P00364W [1,0,0,0,0,0|1,1,1]=4 248 B6R1.2 NC1CSCC1 1P008TP7 [1,0,0,0,0,0|1,0,1]=3 249 B6R1.2 NC1CSCC1 1P019SSH [1,0,0,0,0,0|1,0,1]=3 250 B6R1.2 NN1CCCC1 1P001WWW [1,0,0,0,0,0|3,0,0]=4 251 B6R1.2 NN1CCCC1 1P00IBN6 [1,0,0,0,0,0|3,0,0]=4 252 B6R1.2 NN1CCCC1 1P01B8Y3 [1,0,0,0,0,0|3,0,0]=4 253 B6R1.2 N[C@@H]1CCC=C1 1P028TVE [1,0,0,0,0,0|2,0,1]=4 254 B6R1.2 N[C@@H]1CNCC1 1P000CB6 [1,0,0,0,0,0|2,0,1]=4 255 B6R1.2 N[C@@H]1CNCC1 1P000YFR [1,0,0,0,0,0|2,0,1]=4 256 B6R1.2 N[C@@H]1COCC1 1P002A0T [1,0,0,0,0,0|1,1,1]=4 257 B6R1.2 N[C@@H]1COCC1 1P008T33 [1,0,0,0,0,0|1,1,1]=4 258 B6R1.2 N[C@H]1CCC=C1 1P028U0L [1,0,0,0,0,0|2,0,1]=4 259 B6R1.2 N[C@H]1CNCC1 1P000CB7 [1,0,0,0,0,0|2,0,1]=4 260 B6R1.2 N[C@H]1CNCC1 1P000CB8 [1,0,0,0,0,0|2,0,1]=4 261 B6R1.2 N[C@H]1COCC1 1P0039FG [1,0,0,0,0,0|1,1,1]=4 262 B6R1.2 N[C@H]1COCC1 1P0039US [1,0,0,0,0,0|1,1,1]=4 263 B6R1.2 O=C1CCCC1 1P000QI3 [1,0,0,0,0,0|1,0,0]=2 264 B6R1.2 O=C1CCCN1 1P0033WH [1,0,0,0,0,0|2,0,0]=3 265 B6R1.2 O=C1CCCN1 1P003IDZ [1,0,0,0,0,0|2,0,0]=3 266 B6R1.2 O=C1CCCS1 1P0001YH [1,0,0,0,0,0|2,0,0]=3 267 B6R1.2 O=C1CNCC1 1P003KD3 [1,0,0,0,0,0|1,0,0]=2 268 B6R1.2 O=C1COCC1 1P002LZR [1,0,0,0,0,0|0,1,0]=2 269 B6R1.2 O=C1CSCC1 1P0001YK [1,0,0,0,0,0|0,0,0]=1 270 B6R1.2 O=C1NCCN1 1P000QI2 [1,0,0,0,0,0|3,0,0]=4 271 B6R1.2 O=C1NCCN1 1P0032QH [1,0,0,0,0,0|3,0,0]=4 272 B6R1.2 O=C1NCCO1 1P00I9C8 [1,0,0,0,0,0|3,0,0]=4 273 B6R1.2 O=C1OCCO1 1P003QYT [1,0,0,0,0,0|3,0,0]=4 274 B6R1.2 O=C1OCCS1 1P007GZO [1,0,0,0,0,0|2,0,1]=4 275 B6R1.2 O=P1CC=CC1 1P028B8Y [1,0,0,0,0,0|2,0,1]=4 276 B6R1.2 O=P1CCCC1 1P020LSS [1,0,0,0,0,0|2,0,0]=3 277 B6R1.2 O=S1CCCC1 1P001S1X [1,0,0,0,0,0|2,0,0]=3 278 B6R1.2 O=c1ccs[nH]1 1P0001YJ [1,0,0,0,0,0|1,0,2]=4 279 B6R1.2 OC1CCC=C1 1P00C75L [1,0,0,0,0,0|2,0,1]=4 280 B6R1.2 OC1CCCC1 1P0037C1 [1,0,0,0,0,0|1,0,2]=4 281 B6R1.2 OC1CCCC1 1P0072E6 [1,0,0,0,0,0|1,0,2]=4 282 B6R1.2 OC1CCCO1 1P0033TP [1,0,0,0,0,0|1,1,1]=4 283 B6R1.2 OC1CNCC1 1P00348V [1,0,0,0,0,0|1,0,2]=4 284 B6R1.2 OC1CNCC1 1P003K1N [1,0,0,0,0,0|1,0,2]=4 285 B6R1.2 OC1COCC1 1P003K1O [1,0,0,0,0,0|0,1,2]=4 286 B6R1.2 OC1CSCC1 1P00C6QJ [1,0,0,0,0,0|0,0,2]=3 287 B6R1.2 O[C@@H]1CCC=C1 1P028ADY [1,0,0,0,0,0|2,0,1]=4 288 B6R1.2 O[C@@H]1CNCC1 1P0001TH [1,0,0,0,0,0|1,0,2]=4 289 B6R1.2 O[C@@H]1CNCC1 1P0017WD [1,0,0,0,0,0|1,0,2]=4 290 B6R1.2 O[C@@H]1COCC1 1P0036VL [1,0,0,0,0,0|0,1,2]=4 291 B6R1.2 O[C@@H]1CSCC1 1P01C72F [1,0,0,0,0,0|0,0,2]=3 292 B6R1.2 O[C@H]1CCC=C1 1P01GV1K [1,0,0,0,0,0|2,0,1]=4 293 B6R1.2 O[C@H]1CNCC1 1P0032UB [1,0,0,0,0,0|1,0,2]=4 294 B6R1.2 O[C@H]1CNCC1 1P007MBD [1,0,0,0,0,0|1,0,2]=4 295 B6R1.2 O[C@H]1COCC1 1P0032UA [1,0,0,0,0,0|0,1,2]=4 296 B6R1.2 O[C@H]1CSCC1 1P0003PO [1,0,0,0,0,0|0,0,2]=3 297 B6R1.2 S=C1CCCN1 1P002M49 [1,0,0,0,0,0|2,1,0]=4 298 B6R1.2 S=C1SCCS1 1P003QZB [1,0,0,0,0,0|2,0,1]=4 299 B6R1.2 SC1=NCCS1 1P003HZ4 [1,0,0,0,0,0|2,0,1]=4 300 B6R1.2 SC1CCCC1 1P00354P [1,0,0,0,0,0|1,1,1]=4 301 B6R1.2 SC1CNCC1 1P01PP87 [1,0,0,0,0,0|1,1,1]=4 302 B6R1.2 SC1COCC1 1P01BE72 [1,0,0,0,0,0|0,2,1]=4 303 B6R1.2 SC1CSCC1 1P01EJ6I [1,0,0,0,0,0|0,1,1]=3 304 B6R1.2 S[C@@H]1CNCC1 1P020ALT [1,0,0,0,0,0|1,1,1]=4 305 B6R1.2 [O-]1C(=O)CS[Ca+2]1 1P00BND7 [1,0,0,0,0,0|2,0,0]=3 306 B8R1.11 BrCC1=C(C)CCC1 1P0280NQ [0,1,0,0,0,0|2,0,1]=4 307 B8R1.11 BrCC1CCNC1=O 1P024VX2 [0,1,0,0,0,0|2,0,0]=3 308 B8R1.11 BrCN1CCCC1=O 1P01B8O3 [0,1,0,0,0,0|2,0,0]=3 309 B8R1.11 BrC[C@@H]1CCCN1C 1P0291QH [0,1,0,0,0,0|3,0,0]=4 310 B8R1.11 BrC[C@H]1CCCN1C 1P0291SD [0,1,0,0,0,0|3,0,0]=4 311 B8R1.11 C1CNC(=O)C1C#N 1P003YYN [0,1,0,0,0,0|2,0,1]=4 312 B8R1.11 C1COC(=O)C1C#N 1P002UGD [0,1,0,0,0,0|2,0,1]=4 313 B8R1.11 C1OCC(=O)C1C#N 1P00IE7H [0,1,0,0,0,0|2,0,1]=4 314 B8R1.11 C1SCC(=O)C1C#N 1P001WQV [0,1,0,0,0,0|2,0,1]=4 315 B8R1.11 C=CN1CCCC1=O 1P003TV0 [0,1,0,0,0,0|2,0,1]=4 316 B8R1.11 C=CN1CCCC1=O 1P00IN04 [0,1,0,0,0,0|2,0,1]=4 317 B8R1.11 CC1NCCC1CO 1P01B26Q [0,1,0,0,0,0|1,0,2]=4 318 B8R1.11 CC1OCCC1C#C 1P0289WR [0,1,0,0,0,0|1,1,1]=4 319 B8R1.11 CC1OCCC1C=O 1P007IPG [0,1,0,0,0,0|0,1,1]=3 320 B8R1.11 CC1OCCC1CBr 1P01B9LM [0,1,0,0,0,0|1,1,1]=4 321 B8R1.11 CC1OCCC1CN 1P028ZV3 [0,1,0,0,0,0|1,1,1]=4 322 B8R1.11 CC1OCCC1NN 1P027ZQX [0,1,0,0,0,0|1,1,1]=4 323 B8R1.11 CCC1CCCC1=O 1P00DBGE [0,1,0,0,0,0|1,0,0]=2 324 B8R1.11 CCC1CCCC1N 1P019ZZ8 [0,1,0,0,0,0|2,0,1]=4 325 B8R1.11 CCC1CCNC1=O 1P00J2OB [0,1,0,0,0,0|2,0,0]=3 326 B8R1.11 CCC1CCNC1C 1P01AFW4 [0,1,0,0,0,0|2,0,1]=4 327 B8R1.11 CCC1CCOC1=O 1P001A7G [0,1,0,0,0,0|2,0,0]=3 328 B8R1.11 CCC1COCC1=O 1P01B601 [0,1,0,0,0,0|2,0,0]=3 329 B8R1.11 CCC1NCCC1C 1P01AFTA [0,1,0,0,0,0|2,0,1]=4 330 B8R1.11 CCN1CCCC1=O 1P00I5JI [0,1,0,0,0,0|2,0,0]=3 331 B8R1.11 CCN1CCCC1=O 1P00IGFU [0,1,0,0,0,0|2,0,0]=3 332 B8R1.11 CCN1CCNC1=O 1P004PXD [0,1,0,0,0,0|3,0,0]=4 333 B8R1.11 CCN1CCOC1=O 1P01IBC3 [0,1,0,0,0,0|3,0,0]=4 334 B8R1.11 CCN1CNCC1=O 1P01BDYM [0,1,0,0,0,0|3,0,0]=4 335 B8R1.11 CC[C@@H]1CCCC1=O 1P01BUQW [0,1,0,0,0,0|1,0,0]=2 336 B8R1.11 CC[C@@H]1CCC[C@H]1N 1P01DTR8 [0,1,0,0,0,0|2,0,1]=4 337 B8R1.11 CC[C@@H]1NCC[C@@H]1O 1P028AJJ [0,1,0,0,0,0|1,0,2]=4 338 B8R1.11 CC[C@H]1NCC[C@H]1O 1P028BJY [0,1,0,0,0,0|1,0,2]=4 339 B8R1.11 CNC1CCCC1C 1P028IRX [0,1,0,0,0,0|2,0,1]=4 340 B8R1.11 CNC1CCNC1=O 1P018SNE [0,1,0,0,0,0|2,0,0]=3 341 B8R1.11 CN[C@@H]1CCC[C@@H]1O 1P01KL2I [0,1,0,0,0,0|1,0,2]=4 342 B8R1.11 CN[C@@H]1CCC[C@H]1O 1P00PKEU [0,1,0,0,0,0|1,0,2]=4 343 B8R1.11 CN[C@H]1CCOC1=O 1P0283ZR [0,1,0,0,0,0|2,0,0]=3 344 B8R1.11 COC1CCCC1=O 1P00CN6B [0,1,0,0,0,0|1,0,0]=2 345 B8R1.11 COC1CCCC1N 1P01A7QP [0,1,0,0,0,0|2,0,1]=4 346 B8R1.11 CO[C@@H]1CCCC1=O 1P028F00 [0,1,0,0,0,0|1,0,0]=2 347 B8R1.11 CO[C@@H]1CCC[C@@H]1N 1P00M2PV [0,1,0,0,0,0|2,0,1]=4 348 B8R1.11 CO[C@@H]1CCC[C@@H]1N 1P01JVEJ [0,1,0,0,0,0|2,0,1]=4 349 B8R1.11 CO[C@@H]1CCC[C@H]1N 1P019FM8 [0,1,0,0,0,0|2,0,1]=4 350 B8R1.11 CO[C@@H]1CCC[C@H]1N 1P01C1J4 [0,1,0,0,0,0|2,0,1]=4 351 B8R1.11 CO[C@@H]1CCC[C@H]1O 1P005MYW [0,1,0,0,0,0|1,0,2]=4 352 B8R1.11 CO[C@@H]1CCN[C@@H]1C 1P0287Y0 [0,1,0,0,0,0|1,0,2]=4 353 B8R1.11 CO[C@H]1CCCC1=O 1P028P07 [0,1,0,0,0,0|1,0,0]=2 354 B8R1.11 CO[C@H]1CCC[C@@H]1N 1P01A85P [0,1,0,0,0,0|2,0,1]=4 355 B8R1.11 CO[C@H]1CCC[C@@H]1N 1P024KNM [0,1,0,0,0,0|2,0,1]=4 356 B8R1.11 CO[C@H]1CCC[C@@H]1O 1P01EN49 [0,1,0,0,0,0|1,0,2]=4 357 B8R1.11 CSC1CCCC1N 1P018ST6 [0,1,0,0,0,0|2,0,1]=4 358 B8R1.11 CS[C@@H]1CCC[C@@H]1Cl 1P028W07 [0,1,0,0,0,0|2,0,1]=4 359 B8R1.11 CS[C@@H]1CCC[C@H]1N 1P01GTIJ [0,1,0,0,0,0|2,0,1]=4 360 B8R1.11 CS[C@@H]1CCC[C@H]1O 1P0288RF [0,1,0,0,0,0|1,0,2]=4 361 B8R1.11 C[C@H]1NCC[C@H]1CO 1P00I1MI [0,1,0,0,0,0|1,0,2]=4 362 B8R1.11 C[C@H]1OCC[C@H]1CO 1P00I2AV [0,1,0,0,0,0|0,1,2]=4 363 B8R1.11 Cc1sccc1C=O 1P004NVR [0,1,0,0,0,0|0,0,3]=4 364 B8R1.11 Cc1scnc1C=O 1P002SGK [0,1,0,0,0,0|1,0,2]=4 365 B8R1.11 Cc1sncc1C=O 1P01EMPQ [0,1,0,0,0,0|1,0,2]=4 366 B8R1.11 ClCC1CCCN1C 1P00DKB8 [0,1,0,0,0,0|3,0,0]=4 367 B8R1.11 ClCN1CCCC1=O 1P007I8R [0,1,0,0,0,0|2,0,0]=3 368 B8R1.11 ClC[C@@H]1CCC[NH+]1C 1P006JDD [0,1,0,0,0,0|3,0,0]=4 369 B8R1.11 ClC[C@H]1CCCN1C 1P01C5ZS [0,1,0,0,0,0|3,0,0]=4 370 B8R1.11 ICC1CCCN1C 1P01EZRR [0,1,0,0,0,0|3,0,0]=4 371 B8R1.11 ICC1OCCC1F 1P028HC4 [0,1,0,0,0,0|1,1,1]=4 372 B8R1.11 N#CC1CCCC1=O 1P00BD1E [0,1,0,0,0,0|1,0,1]=3 373 B8R1.11 N#CC1CCCC1C 1P01A6NY [0,1,0,0,0,0|2,0,1]=4 374 B8R1.11 NCC1CCCC1=O 1P01AVGC [0,1,0,0,0,0|1,0,0]=2 375 B8R1.11 NCC1CCCC1C 1P005QZ9 [0,1,0,0,0,0|2,0,1]=4 376 B8R1.11 NCC1CCCC1N 1P007QKI [0,1,0,0,0,0|2,0,1]=4 377 B8R1.11 NCC1CCCC1O 1P018HNZ [0,1,0,0,0,0|1,0,2]=4 378 B8R1.11 NCC1CCCN1C 1P002SFQ [0,1,0,0,0,0|3,0,0]=4 379 B8R1.11 NCC1CCNC1=O 1P00KGVS [0,1,0,0,0,0|2,0,0]=3 380 B8R1.11 NCC1CCOC1=O 1P01BD3W [0,1,0,0,0,0|2,0,0]=3 381 B8R1.11 NCC1OCCC1F 1P0293OA [0,1,0,0,0,0|1,1,1]=4 382 B8R1.11 NC[C@@H]1CCCN1C 1P00BIQW [0,1,0,0,0,0|3,0,0]=4 383 B8R1.11 NC[C@@H]1CCCN1C 1P00FHK8 [0,1,0,0,0,0|3,0,0]=4 384 B8R1.11 NC[C@@H]1CCC[C@H]1O 1P01C2CU [0,1,0,0,0,0|1,0,2]=4 385 B8R1.11 NC[C@H]1CCCN1C 1P00FY6Q [0,1,0,0,0,0|3,0,0]=4 386 B8R1.11 NC[C@H]1CCC[C@H]1O 1P028MV0 [0,1,0,0,0,0|1,0,2]=4 387 B8R1.11 O=CC1CCCC1C 1P01DZBJ [0,1,0,0,0,0|1,0,1]=3 388 B8R1.11 O=CN1CCCC1=O 1P0037PG [0,1,0,0,0,0|2,0,1]=4 389 B8R1.11 OCC1=C(C)CCC1 1P0291Q3 [0,1,0,0,0,0|1,0,2]=4 390 B8R1.11 OCC1=CCCC1=O 1P00618A [0,1,0,0,0,0|1,0,1]=3 391 B8R1.11 OCC1CCCC1=O 1P002B0X [0,1,0,0,0,0|1,0,0]=2 392 B8R1.11 OCC1CCCC1O 1P01DQ2T [0,1,0,0,0,0|1,0,2]=4 393 B8R1.11 OCC1CCCN1C 1P0031J1 [0,1,0,0,0,0|3,0,0]=4 394 B8R1.11 OCC1CCCN1N 1P01C3WP [0,1,0,0,0,0|3,0,0]=4 395 B8R1.11 OCC1CCNC1=O 1P00GGRU [0,1,0,0,0,0|2,0,0]=3 396 B8R1.11 OCC1NCCC1C 1P01B1O4 [0,1,0,0,0,0|2,0,1]=4 397 B8R1.11 OCC1OCCC1C 1P020LVX [0,1,0,0,0,0|1,1,1]=4 398 B8R1.11 OCC1OCCC1F 1P0286XN [0,1,0,0,0,0|1,1,1]=4 399 B8R1.11 OCN1CCCC1=O 1P0197YC [0,1,0,0,0,0|2,0,0]=3 400 B8R1.11 OC[C@@H]1CCCN1C 1P00I79C [0,1,0,0,0,0|3,0,0]=4 401 B8R1.11 OC[C@@H]1CCC[C@@H]1N 1P0077RK [0,1,0,0,0,0|2,0,1]=4 402 B8R1.11 OC[C@@H]1CCC[C@H]1N 1P028SBL [0,1,0,0,0,0|2,0,1]=4 403 B8R1.11 OC[C@H]1CCCN1C 1P003TOB [0,1,0,0,0,0|3,0,0]=4 404 B8R1.11 OC[C@H]1CCC[C@@H]1N 1P028E10 [0,1,0,0,0,0|2,0,1]=4 405 B8R1.11 OC[C@H]1NCC[C@@H]1O 1P01DI87 [0,1,0,0,0,0|1,0,2]=4 406 B8R1.11 OC[C@H]1OCC[C@@H]1O 1P0069N6 [0,1,0,0,0,0|0,1,2]=4 407 B8R1.18 BrC1=NN(C(=O)C1)C 1P01FQKJ [0,1,0,0,0,0|2,0,1]=4 408 B8R1.18 CC1=CC(=O)C(O1)C 1P001J8M [0,1,0,0,0,0|0,1,2]=4 409 B8R1.18 CC1=NN(C(=O)C1)C 1P00I5O7 [0,1,0,0,0,0|2,0,1]=4 410 B8R1.18 CC1CC(=O)N(C1)C 1P0039PD [0,1,0,0,0,0|2,0,0]=3 411 B8R1.18 CC1CC(C(=O)N1)C 1P01C1X2 [0,1,0,0,0,0|2,0,0]=3 412 B8R1.18 CC1OC(=O)C(C1)N 1P01BBRO [0,1,0,0,0,0|3,0,0]=4 413 B8R1.18 CC1OC(C(=O)C1)C 1P00ELV2 [0,1,0,0,0,0|0,1,0]=2 414 B8R1.18 CC1OC(C(C1)N)C 1P01C0Y6 [0,1,0,0,0,0|1,1,1]=4 415 B8R1.18 CC1SC(C(=N1)C)C 1P00F4VW [0,1,0,0,0,0|2,0,0]=3 416 B8R1.18 CN1CC(=O)C(C1)C 1P019Z88 [0,1,0,0,0,0|2,0,0]=3 417 B8R1.18 C[C@H]1NC(=O)[C@H](C1)O 1P02843W [0,1,0,0,0,0|3,0,0]=4 418 B8R1.18 ClC1OC(=O)C(=C1)C 1P01JG5D [0,1,0,0,0,0|2,0,1]=4 419 B8R1.18 Clc1sn(c(=O)c1)C 1P00IAG6 [0,1,0,0,0,0|1,0,2]=4 420 B8R1.18 Cn1sc(cc1=O)Cl 1P0038LG [0,1,0,0,0,0|1,0,2]=4 421 B8R1.18 Cn1sc(cc1=O)Cl 1P01EB0T [0,1,0,0,0,0|1,0,2]=4 422 B8R1.18 NC1=NC(=O)C(S1)C 1P00J7V7 [0,1,0,0,0,0|1,0,1]=3 423 B8R1.18 NC1CC(=O)N(C1)C 1P000K4W [0,1,0,0,0,0|2,0,0]=3 424 B8R1.18 NC1CC(=O)N(C1)C 1P00GW44 [0,1,0,0,0,0|2,0,0]=3 425 B8R1.18 NC1CC(=O)N(C1)O 1P028G1Y [0,1,0,0,0,0|3,0,0]=4 426 B8R1.18 N[C@@H]1CC(=O)N(C1)C 1P01DZPD [0,1,0,0,0,0|2,0,0]=3 427 B8R1.18 N[C@H]1CC(=O)N(C1)C 1P01BVFN [0,1,0,0,0,0|2,0,0]=3 428 B8R1.18 O=C1CC(C(=O)N1)C 1P00D9M8 [0,1,0,0,0,0|2,0,1]=4 429 B8R1.18 O=C1CC(C(=O)O1)C 1P003SL0 [0,1,0,0,0,0|2,0,1]=4 430 B8R1.18 O=C1CN(C(=O)C1)C 1P00CAXD [0,1,0,0,0,0|2,0,1]=4 431 B8R1.18 O=C1C[C@@H](C(=O)O1)C 1P01BW3S [0,1,0,0,0,0|2,0,1]=4 432 B8R1.18 O=C1NC(C(=O)N1)C 1P003NCS [0,1,0,0,0,0|2,0,1]=4 433 B8R1.18 O=C1N[C@@H](C(=O)O1)C 1P00DAN2 [0,1,0,0,0,0|2,0,1]=4 434 B8R1.18 O=C1N[C@H](C(=O)O1)C 1P0032XZ [0,1,0,0,0,0|2,0,1]=4 435 B8R1.18 O=C1OC(C(=O)N1)C 1P002V5Z [0,1,0,0,0,0|1,1,1]=4 436 B8R1.18 O=C1SC(C(=O)N1)Br 1P009FFV [0,1,0,0,0,0|2,0,1]=4 437 B8R1.18 OC1CC(=O)N(C1)C 1P01A405 [0,1,0,0,0,0|2,0,0]=3 438 B8R1.18 OC1CN(C(C1)C)C 1P027VTJ [0,1,0,0,0,0|3,0,0]=4 439 B8R1.18 OC1OC(=O)C(=C1)C 1P01BXVO [0,1,0,0,0,0|2,0,1]=4 440 B8R1.18 O[C@@H]1CC(=O)N(C1)C 1P01B2BP [0,1,0,0,0,0|2,0,0]=3 441 B8R1.18 O[C@H]1CC(=O)N(C1)C 1P01DWHO [0,1,0,0,0,0|2,0,0]=3 442 B8R1.18 S=C1NC(=O)C(N1)C 1P00CLMT [0,1,0,0,0,0|2,0,1]=4 443 B8R1.18 SC1CC(=O)N(C1)C 1P00CGQP [0,1,0,0,0,0|2,0,0]=3 444 B8R1.19 BrC1CCCC1(C)C 1P01B84P [0,1,0,0,0,0|2,0,1]=4 445 B8R1.19 CC1CCCC1(C)N 1P0288KD [0,1,0,0,0,0|2,0,1]=4 446 B8R1.19 CC1CCCC1(C)O 1P00ABV1 [0,1,0,0,0,0|1,0,2]=4 447 B8R1.19 CC1CCNC1(C)C 1P001GKD [0,1,0,0,0,0|2,0,1]=4 448 B8R1.19 CC1CCNC1(C)C 1P028U2O [0,1,0,0,0,0|2,0,1]=4 449 B8R1.19 CC1CCNS1(=O)=O 1P01EJ4G [0,1,0,0,0,0|3,0,0]=4 450 B8R1.19 CC1NCCC1(C)C 1P01EJHC [0,1,0,0,0,0|2,0,1]=4 451 B8R1.19 CC1NCCC1(F)F 1P01EJGY [0,1,0,0,0,0|2,0,1]=4 452 B8R1.19 CC1OCCC1(C)N 1P01A5CG [0,1,0,0,0,0|1,1,1]=4 453 B8R1.19 CN1CCCS1(=O)=O 1P004ZBZ [0,1,0,0,0,0|3,0,0]=4 454 B8R1.19 FC1CCCC1(C)N 1P027XF1 [0,1,0,0,0,0|2,0,1]=4 455 B8R1.19 NC1CCCC1(C)C 1P00C9L0 [0,1,0,0,0,0|2,0,1]=4 456 B8R1.19 NC1CCCC1(C)O 1P0029RC [0,1,0,0,0,0|2,0,1]=4 457 B8R1.19 NC1CCNC1(C)C 1P0280H0 [0,1,0,0,0,0|2,0,1]=4 458 B8R1.19 NC1CCOC1(C)C 1P00HUB8 [0,1,0,0,0,0|1,1,1]=4 459 B8R1.19 N[C@@H]1CCCC1(C)C 1P028K9R [0,1,0,0,0,0|2,0,1]=4 460 B8R1.19 N[C@@H]1CCC[C@@]1(C)O 1P01JWL9 [0,1,0,0,0,0|2,0,1]=4 461 B8R1.19 N[C@H]1CCCC1(C)C 1P028PL5 [0,1,0,0,0,0|2,0,1]=4 462 B8R1.19 N[C@H]1CCC[C@]1(C)O 1P01JWK3 [0,1,0,0,0,0|2,0,1]=4 463 B8R1.19 O=C1C=CCC1(C)C 1P007WQE [0,1,0,0,0,0|1,0,2]=4 464 B8R1.19 O=C1CCCC1(C)C 1P0039OS [0,1,0,0,0,0|1,0,0]=2 465 B8R1.19 O=C1CCCC1(C)O 1P01SJXH [0,1,0,0,0,0|1,0,0]=2 466 B8R1.19 O=C1CCNC1(C)C 1P00VVHI [0,1,0,0,0,0|1,0,0]=2 467 B8R1.19 O=C1CCOC1(C)C 1P00JZ4F [0,1,0,0,0,0|0,1,0]=2 468 B8R1.19 O=C1COCC1(C)C 1P001QLN [0,1,0,0,0,0|2,0,0]=3 469 B8R1.19 O=C1CSCC1(C)C 1P0001Z8 [0,1,0,0,0,0|2,0,0]=3 470 B8R1.19 O=C1NCCC1(C)C 1P00DD2V [0,1,0,0,0,0|2,0,0]=3 471 B8R1.19 O=C1NCCC1(C)C 1P01BD0P [0,1,0,0,0,0|2,0,0]=3 472 B8R1.19 O=C1NCCC1(C)N 1P0098ZW [0,1,0,0,0,0|2,0,0]=3 473 B8R1.19 O=C1NCCC1(C)N 1P0281SV [0,1,0,0,0,0|2,0,0]=3 474 B8R1.19 O=C1NCCC1(F)F 1P001U1Z [0,1,0,0,0,0|3,0,0]=4 475 B8R1.19 O=C1NOCC1(C)C 1P005IIN [0,1,0,0,0,0|3,0,0]=4 476 B8R1.19 O=C1OCCC1(C)C 1P003O8D [0,1,0,0,0,0|2,0,0]=3 477 B8R1.19 O=C1OCCC1(C)N 1P01BCLL [0,1,0,0,0,0|2,0,0]=3 478 B8R1.19 O=N1=CCCC1(C)C 1P0034MM [0,1,0,0,0,0|2,0,1]=4 479 B8R1.19 OC1CCCC1(C)C 1P00VSJU [0,1,0,0,0,0|1,0,2]=4 480 B8R1.19 OC1CCCC1(C)N 1P0286DZ [0,1,0,0,0,0|1,0,2]=4 481 B8R1.19 OC1CCNC1(C)C 1P00VVHH [0,1,0,0,0,0|1,0,2]=4 482 B8R1.19 O[C@@H]1CCCC1(C)C 1P01G30B [0,1,0,0,0,0|1,0,2]=4 483 B8R1.19 O[C@H]1CCCC1(C)C 1P007XUY [0,1,0,0,0,0|1,0,2]=4 484 B8R1.19 S=C1NCCC1(C)C 1P000X5Q [0,1,0,0,0,0|2,1,0]=4 485 B8R1.50 BrC1=C(C)C(=O)OC1 1P01DJBD [0,1,0,0,0,0|2,0,1]=4 486 B8R1.50 BrC1=C(C)CCC1=O 1P003H3P [0,1,0,0,0,0|2,0,1]=4 487 B8R1.50 BrC1C(=O)CCC1=O 1P001I25 [0,1,0,0,0,0|2,0,0]=3 488 B8R1.50 BrN1C(=O)CCC1=O 1P000Y4R [0,1,0,0,0,0|3,0,0]=4 489 B8R1.50 CC1C(=O)CCC1=O 1P0033UH [0,1,0,0,0,0|1,0,0]=2 490 B8R1.50 CC1C(=O)COC1=O 1P009RIB [0,1,0,0,0,0|2,0,0]=3 491 B8R1.50 CC1C(C)CCC1C 1P028484 [0,1,0,0,0,0|2,0,1]=4 492 B8R1.50 CC1C(C)CNC1=O 1P01AV3O [0,1,0,0,0,0|2,0,0]=3 493 B8R1.50 CC1C(C)CNC1C 1P01C3WR [0,1,0,0,0,0|2,0,1]=4 494 B8R1.50 CC1C(C)CNC1C 1P028CO6 [0,1,0,0,0,0|2,0,1]=4 495 B8R1.50 CC1C(C)OCC1=O 1P00H6YO [0,1,0,0,0,0|2,0,0]=3 496 B8R1.50 CC1CCC(=O)C1=O 1P008QG7 [0,1,0,0,0,0|1,0,1]=3 497 B8R1.50 CC1CCC(=O)N1C 1P00DCGW [0,1,0,0,0,0|2,0,0]=3 498 B8R1.50 CC1CCC(=O)N1N 1P0283Q8 [0,1,0,0,0,0|3,0,0]=4 499 B8R1.50 CC1CCC(C1=O)C 1P00C7BQ [0,1,0,0,0,0|1,0,0]=2 500 B8R1.50 CC1COC(=O)C1N 1P028GSQ [0,1,0,0,0,0|3,0,0]=4 501 B8R1.50 CC1COC(=O)C1O 1P028RX6 [0,1,0,0,0,0|3,0,0]=4 502 B8R1.50 CN1C(=O)CCC1=O 1P0035VB [0,1,0,0,0,0|2,0,0]=3 503 B8R1.50 CN1C(=O)CNC1=O 1P00FFTF [0,1,0,0,0,0|3,0,0]=4 504 B8R1.50 CN1C(=O)COC1=O 1P001JLM [0,1,0,0,0,0|3,0,0]=4 505 B8R1.50 CN1C(=O)CSC1=O 1P001U8X [0,1,0,0,0,0|3,0,0]=4 506 B8R1.50 CN1C(C)CNC1=O 1P01CA33 [0,1,0,0,0,0|3,0,0]=4 507 B8R1.50 CN1C(C)COC1=O 1P0285GC [0,1,0,0,0,0|3,0,0]=4 508 B8R1.50 CN1CCC(=O)C1=O 1P00D7QX [0,1,0,0,0,0|2,0,1]=4 509 B8R1.50 CN1CCC(=O)C1C 1P01BSAN [0,1,0,0,0,0|1,0,0]=2 510 B8R1.50 CN1CCN(C1=O)N 1P0036BG [0,1,0,0,0,0|3,0,0]=4 511 B8R1.50 CN1OCC(C1=O)N 1P028921 [0,1,0,0,0,0|1,1,0]=3 512 B8R1.50 C[C@H]1[C@H](C)CNC1=O 1P028A96 [0,1,0,0,0,0|2,0,0]=3 513 B8R1.50 ClC1C(=O)CCC1=O 1P001I26 [0,1,0,0,0,0|2,0,0]=3 514 B8R1.50 ClC1C(=O)COC1=O 1P003JN1 [0,1,0,0,0,0|3,0,0]=4 515 B8R1.50 ClN1C(=O)CCC1=O 1P000Y4Q [0,1,0,0,0,0|3,0,0]=4 516 B8R1.50 IN1C(=O)CCC1=O 1P0036AA [0,1,0,0,0,0|3,0,0]=4 517 B8R1.50 NC1C(C)CCC1C 1P0013ZJ [0,1,0,0,0,0|2,0,1]=4 518 B8R1.50 NC1C(C)CCC1C 1P00G5CS [0,1,0,0,0,0|2,0,1]=4 519 B8R1.50 NN1C(=O)CCC1=O 1P003T6U [0,1,0,0,0,0|3,0,0]=4 520 B8R1.50 N[C@H]1[C@@H](O)COC1=O 1P01EN3J [0,1,0,0,0,0|3,0,0]=4 521 B8R1.50 O=C1C(Br)CCN1C 1P0036A3 [0,1,0,0,0,0|2,0,0]=3 522 B8R1.50 O=C1C(C)CCN1C 1P0039TW [0,1,0,0,0,0|2,0,0]=3 523 B8R1.50 O=C1C(C)NCN1C 1P01C5AU [0,1,0,0,0,0|2,0,0]=3 524 B8R1.50 O=C1C(C)NCN1C 1P01C5HA [0,1,0,0,0,0|2,0,0]=3 525 B8R1.50 O=C1C(Cl)CCN1C 1P021K3S [0,1,0,0,0,0|2,0,0]=3 526 B8R1.50 O=C1C(N)CCN1C 1P000J31 [0,1,0,0,0,0|2,0,0]=3 527 B8R1.50 O=C1C(N)CCN1C 1P000XKF [0,1,0,0,0,0|2,0,0]=3 528 B8R1.50 O=C1C(N)CCN1O 1P0001Z5 [0,1,0,0,0,0|3,0,0]=4 529 B8R1.50 O=C1C(O)CCN1C 1P0011X4 [0,1,0,0,0,0|2,0,0]=3 530 B8R1.50 O=C1CN=C(N1C)N 1P01B68P [0,1,0,0,0,0|3,0,0]=4 531 B8R1.50 O=C1CNC(=S)N1C 1P003K65 [0,1,0,0,0,0|3,0,0]=4 532 B8R1.50 O=C1CSC(=S)N1C 1P00DCVF [0,1,0,0,0,0|3,0,0]=4 533 B8R1.50 O=C1NN=C(C1C)C 1P00FE1X [0,1,0,0,0,0|3,0,0]=4 534 B8R1.50 O=C1[C@@H](N)CCN1C 1P021RNA [0,1,0,0,0,0|2,0,0]=3 535 B8R1.50 O=C1[C@H](N)CCN1C 1P01K8C3 [0,1,0,0,0,0|2,0,0]=3 536 B8R1.50 OC1=C(Br)CCC1=O 1P01BA5E [0,1,0,0,0,0|2,0,1]=4 537 B8R1.50 OC1=C(C)C(=O)OC1 1P00DKLN [0,1,0,0,0,0|2,0,1]=4 538 B8R1.50 OC1=C(C)CCC1=O 1P003SGN [0,1,0,0,0,0|2,0,1]=4 539 B8R1.50 OC1CCC(=O)N1C 1P00C0UB [0,1,0,0,0,0|2,0,0]=3 540 B8R1.50 ON1C(=O)CCC1=O 1P0035UL [0,1,0,0,0,0|3,0,0]=4 541 B8R1.50 O[C@@H]1[C@H](O)COC1=O 1P001PCQ [0,1,0,0,0,0|3,0,0]=4 542 B6R0.1 BrCC=C(CC)C 1P008ENM [0,0,1,0,0,0|2,0,1]=4 543 B6R0.1 BrCCC(=O)CBr 1P028DVI [0,0,1,0,0,0|2,0,0]=3 544 B6R0.1 BrCCC(CC)C 1P00DA2E [0,0,1,0,0,0|2,0,1]=4 545 B6R0.1 BrCCC(CC)O 1P028LP8 [0,0,1,0,0,0|1,0,2]=4 546 B6R0.1 BrCCN(CC)C 1P0284N1 [0,0,1,0,0,0|3,0,0]=4 547 B6R0.1 BrCC[C@H](CC)N 1P028BDQ [0,0,1,0,0,0|2,0,1]=4 548 B6R0.1 CC(=CCC)C=O 1P003I2O [0,0,1,0,0,0|1,0,1]=3 549 B6R0.1 CC(C#C)NCC 1P01BUV1 [0,0,1,0,0,0|2,0,1]=4 550 B6R0.1 CC(C#C)OCC 1P01I2S2 [0,0,1,0,0,0|1,1,1]=4 551 B6R0.1 CC(C#N)NCC 1P01B6WR [0,0,1,0,0,0|2,0,1]=4 552 B6R0.1 CC(C#N)OCC 1P001ED3 [0,0,1,0,0,0|1,1,1]=4 553 B6R0.1 CC(C#N)SCC 1P01A1FY [0,0,1,0,0,0|1,0,1]=3 554 B6R0.1 CC(C=C)CCN 1P028CGJ [0,0,1,0,0,0|3,0,0]=4 555 B6R0.1 CC(C=O)CCC 1P000KD7 [0,0,1,0,0,0|1,0,0]=2 556 B6R0.1 CC(C=O)OCC 1P01HX98 [0,0,1,0,0,0|0,1,0]=2 557 B6R0.1 CC(OC)CCS 1P0283KM [0,0,1,0,0,0|2,0,1]=4 558 B6R0.1 CC=CC(=O)CC 1P002QI6 [0,0,1,0,0,0|1,0,2]=4 559 B6R0.1 CCC(=O)CC#N 1P003KBE [0,0,1,0,0,0|1,0,1]=3 560 B6R0.1 CCC(=O)N=C=S 1P01BUGN [0,0,1,0,0,0|1,0,2]=4 561 B6R0.1 CCC(=O)\C=C\Cl 1P00ELWV [0,0,1,0,0,0|1,0,2]=4 562 B6R0.1 CCCC(=O)C#C 1P006GC2 [0,0,1,0,0,0|1,0,2]=4 563 B6R0.1 CCCC(=O)C=C 1P001TZV [0,0,1,0,0,0|1,0,2]=4 564 B6R0.1 CCCC(=O)CBr 1P00517X [0,0,1,0,0,0|2,0,0]=3 565 B6R0.1 CCCC(=O)CC 1P003JZA [0,0,1,0,0,0|1,0,0]=2 566 B6R0.1 CCCC(=O)CCl 1P002GN5 [0,0,1,0,0,0|2,0,0]=3 567 B6R0.1 CCCC(=O)CN 1P01C2B2 [0,0,1,0,0,0|2,0,0]=3 568 B6R0.1 CCCC(=O)CO 1P00EZ0V [0,0,1,0,0,0|2,0,0]=3 569 B6R0.1 CCCC(=O)NN 1P00I7HO [0,0,1,0,0,0|3,0,0]=4 570 B6R0.1 CCCC(=O)NO 1P00D8ZA [0,0,1,0,0,0|3,0,0]=4 571 B6R0.1 CCCC(=O)OC 1P003SGE [0,0,1,0,0,0|2,0,0]=3 572 B6R0.1 CCCC(=S)OC 1P003SJF [0,0,1,0,0,0|2,1,0]=4 573 B6R0.1 CCCC(C=C)O 1P0035G8 [0,0,1,0,0,0|3,0,0]=4 574 B6R0.1 CCCC(CC)Br 1P003JL2 [0,0,1,0,0,0|2,0,1]=4 575 B6R0.1 CCCC(CC)C 1P003K83 [0,0,1,0,0,0|2,0,1]=4 576 B6R0.1 CCCC(CC)Cl 1P002NSV [0,0,1,0,0,0|2,0,1]=4 577 B6R0.1 CCCC(CC)N 1P00G5JZ [0,0,1,0,0,0|2,0,1]=4 578 B6R0.1 CCCC(CC)O 1P003JZ9 [0,0,1,0,0,0|1,0,2]=4 579 B6R0.1 CCCC(CC)S 1P001UGW [0,0,1,0,0,0|1,1,1]=4 580 B6R0.1 CCCC(CCl)C 1P000YIZ [0,0,1,0,0,0|2,0,1]=4 581 B6R0.1 CCCC(CN)C 1P028Y09 [0,0,1,0,0,0|2,0,1]=4 582 B6R0.1 CCCC(CO)C 1P003I22 [0,0,1,0,0,0|1,0,2]=4 583 B6R0.1 CCCC(NC)C 1P019NHH [0,0,1,0,0,0|3,0,0]=4 584 B6R0.1 CCC[C@@H](CC)O 1P007MBP [0,0,1,0,0,0|1,0,2]=4 585 B6R0.1 CCNC(=O)CBr 1P00DD4D [0,0,1,0,0,0|3,0,0]=4 586 B6R0.1 CCNC(=O)CC 1P003THF [0,0,1,0,0,0|2,0,0]=3 587 B6R0.1 CCNC(=O)CCl 1P007FBG [0,0,1,0,0,0|3,0,0]=4 588 B6R0.1 CCNC(=O)CI 1P01STA0 [0,0,1,0,0,0|3,0,0]=4 589 B6R0.1 CCNC(=O)CN 1P002U9F [0,0,1,0,0,0|3,0,0]=4 590 B6R0.1 CCNC(=O)CN 1P00EL26 [0,0,1,0,0,0|3,0,0]=4 591 B6R0.1 CCNC(=O)CO 1P00FI4I [0,0,1,0,0,0|3,0,0]=4 592 B6R0.1 CCNC(=O)OC 1P00EDGM [0,0,1,0,0,0|3,0,0]=4 593 B6R0.1 CCNC(CC)C 1P00C2HF [0,0,1,0,0,0|2,0,1]=4 594 B6R0.1 CCNC(CC)C 1P00J252 [0,0,1,0,0,0|2,0,1]=4 595 B6R0.1 CCNC(CO)C 1P00C2H6 [0,0,1,0,0,0|1,0,2]=4 596 B6R0.1 CCN[C@H](CO)C 1P01AMLY [0,0,1,0,0,0|1,0,2]=4 597 B6R0.1 CCOC(=N)CC 1P00CNWY [0,0,1,0,0,0|3,0,0]=4 598 B6R0.1 CCOC(=O)C=O 1P0035CW [0,0,1,0,0,0|1,1,1]=4 599 B6R0.1 CCOC(=O)CC 1P003QXI [0,0,1,0,0,0|2,0,0]=3 600 B6R0.1 CCOC(=O)CCl 1P0035CO [0,0,1,0,0,0|3,0,0]=4 601 B6R0.1 CCOC(=O)CF 1P003QVO [0,0,1,0,0,0|3,0,0]=4 602 B6R0.1 CCOC(=O)CN 1P0035FP [0,0,1,0,0,0|3,0,0]=4 603 B6R0.1 CCOC(=O)CO 1P0035CV [0,0,1,0,0,0|3,0,0]=4 604 B6R0.1 CCOC(=O)CS 1P0035DK [0,0,1,0,0,0|3,0,0]=4 605 B6R0.1 CCOC(=O)NC 1P003TPD [0,0,1,0,0,0|3,0,0]=4 606 B6R0.1 CCOC(=O)OC 1P0035D4 [0,0,1,0,0,0|3,0,0]=4 607 B6R0.1 CCOC(CC)C 1P003UOV [0,0,1,0,0,0|1,1,1]=4 608 B6R0.1 CCOC(CN)C 1P004FBX [0,0,1,0,0,0|1,1,1]=4 609 B6R0.1 CCOC(CN)C 1P00910W [0,0,1,0,0,0|1,1,1]=4 610 B6R0.1 CCOC(CO)C 1P002FCO [0,0,1,0,0,0|0,1,2]=4 611 B6R0.1 CCOS(=O)CC 1P006I98 [0,0,1,0,0,0|3,0,0]=4 612 B6R0.1 CCSC(=O)CC 1P003UPF [0,0,1,0,0,0|2,0,0]=3 613 B6R0.1 CCSC(=S)CC 1P01DXER [0,0,1,0,0,0|2,1,0]=4 614 B6R0.1 CC\C=C(\C=O)/Br 1P028NP5 [0,0,1,0,0,0|2,0,1]=4 615 B6R0.1 CN(C=O)CCO 1P001RJU [0,0,1,0,0,0|3,0,0]=4 616 B6R0.1 CNC(=O)CC#N 1P00EAAK [0,0,1,0,0,0|2,0,1]=4 617 B6R0.1 CNC(=O)CCBr 1P01HIVF [0,0,1,0,0,0|2,0,0]=3 618 B6R0.1 CNC(=O)CCCl 1P00C8ZK [0,0,1,0,0,0|2,0,0]=3 619 B6R0.1 CNC(=O)CCN 1P00DNDQ [0,0,1,0,0,0|2,0,0]=3 620 B6R0.1 CNC(=O)CCO 1P00FDP7 [0,0,1,0,0,0|1,1,0]=3 621 B6R0.1 CNC(=O)CCS 1P003K33 [0,0,1,0,0,0|1,0,0]=2 622 B6R0.1 CNCC(=O)NC 1P00DD1M [0,0,1,0,0,0|3,0,0]=4 623 B6R0.1 CNCC(=O)NC 1P019LMM [0,0,1,0,0,0|3,0,0]=4 624 B6R0.1 CNCC(=O)OC 1P0038A2 [0,0,1,0,0,0|3,0,0]=4 625 B6R0.1 COC(=O)CC#C 1P00C7E3 [0,0,1,0,0,0|2,0,1]=4 626 B6R0.1 COC(=O)CC#N 1P0035PC [0,0,1,0,0,0|2,0,1]=4 627 B6R0.1 COC(=O)CC=C 1P0035NF [0,0,1,0,0,0|2,0,1]=4 628 B6R0.1 COC(=O)CCBr 1P0035ND [0,0,1,0,0,0|2,0,0]=3 629 B6R0.1 COC(=O)CCCl 1P00IB3U [0,0,1,0,0,0|2,0,0]=3 630 B6R0.1 COC(=O)CCI 1P00DZG9 [0,0,1,0,0,0|2,0,0]=3 631 B6R0.1 COC(=O)CCN 1P0036NT [0,0,1,0,0,0|2,0,0]=3 632 B6R0.1 COC(=O)CCO 1P003S96 [0,0,1,0,0,0|1,1,0]=3 633 B6R0.1 COC(=O)CCS 1P002YL6 [0,0,1,0,0,0|1,0,0]=2 634 B6R0.1 COC(=O)CNN 1P00CIKR [0,0,1,0,0,0|3,0,0]=4 635 B6R0.1 COC(=O)OCCl 1P003A07 [0,0,1,0,0,0|3,0,0]=4 636 B6R0.1 COC(=O)OCI 1P01H9XC [0,0,1,0,0,0|3,0,0]=4 637 B6R0.1 COCC(=O)CC 1P01AK1L [0,0,1,0,0,0|2,0,0]=3 638 B6R0.1 COCC(=O)NC 1P01C60K [0,0,1,0,0,0|3,0,0]=4 639 B6R0.1 COCC(=O)OC 1P00391Q [0,0,1,0,0,0|3,0,0]=4 640 B6R0.1 CSCC(=O)CC 1P0012TN [0,0,1,0,0,0|2,0,0]=3 641 B6R0.1 CSCC(=O)OC 1P001X2T [0,0,1,0,0,0|3,0,0]=4 642 B6R0.1 C\C=C\C(=O)CC 1P00DT54 [0,0,1,0,0,0|1,0,2]=4 643 B6R0.1 ClCCC(=O)CCl 1P001XMP [0,0,1,0,0,0|2,0,0]=3 644 B6R0.1 ClCCC(CC)C 1P01BL7F [0,0,1,0,0,0|2,0,1]=4 645 B6R0.1 ClCCC(CC)Cl 1P007JYP [0,0,1,0,0,0|2,0,1]=4 646 B6R0.1 ClCCS(=O)CC 1P01HOTP [0,0,1,0,0,0|2,0,0]=3 647 B6R0.1 ClCOC(=O)CC 1P01BUDC [0,0,1,0,0,0|2,0,0]=3 648 B6R0.1 ClCOC(=O)CCl 1P01C2T3 [0,0,1,0,0,0|3,0,0]=4 649 B6R0.1 ICCN(CC)C 1P0290XD [0,0,1,0,0,0|3,0,0]=4 650 B6R0.1 NCCC(=C)CO 1P01BKU7 [0,0,1,0,0,0|3,0,0]=4 651 B6R0.1 NCCC(=C)CO 1P028SA0 [0,0,1,0,0,0|3,0,0]=4 652 B6R0.1 NCCC(=O)CBr 1P028BQ9 [0,0,1,0,0,0|2,0,0]=3 653 B6R0.1 NCCC(=O)CC 1P028D82 [0,0,1,0,0,0|1,0,0]=2 654 B6R0.1 NCCC(=O)NN 1P028BFD [0,0,1,0,0,0|3,0,0]=4 655 B6R0.1 NCCC(=O)NO 1P01BE4B [0,0,1,0,0,0|3,0,0]=4 656 B6R0.1 NCCC(CC)C 1P01B5N1 [0,0,1,0,0,0|2,0,1]=4 657 B6R0.1 NCCC(CC)O 1P002XYG [0,0,1,0,0,0|1,0,2]=4 658 B6R0.1 NCCN(CC)C 1P007TLV [0,0,1,0,0,0|3,0,0]=4 659 B6R0.1 NCCN(CC)C 1P01FJYF [0,0,1,0,0,0|3,0,0]=4 660 B6R0.1 NCCS(=O)CC 1P018HD6 [0,0,1,0,0,0|2,0,0]=3 661 B6R0.1 NNC(=O)CCO 1P002OWU [0,0,1,0,0,0|2,1,0]=4 662 B6R0.1 NNC(=O)CCS 1P005NOM [0,0,1,0,0,0|2,0,0]=3 663 B6R0.1 NNCC(=O)NC 1P0248YV [0,0,1,0,0,0|3,0,0]=4 664 B6R0.1 NOCC(=O)OC 1P01DHWQ [0,0,1,0,0,0|3,0,0]=4 665 B6R0.1 OCCC(=C)CC 1P007UQT [0,0,1,0,0,0|1,1,0]=3 666 B6R0.1 OCCC(CC)C 1P003K5F [0,0,1,0,0,0|1,1,1]=4 667 B6R0.1 OCCC(CC)N 1P01AKWW [0,0,1,0,0,0|1,1,1]=4 668 B6R0.1 OCCC(CC)N 1P01XD7X [0,0,1,0,0,0|1,1,1]=4 669 B6R0.1 OCCC(CC)O 1P00CZR5 [0,0,1,0,0,0|0,1,2]=4 670 B6R0.1 OCCC(CC)S 1P01FGKM [0,0,1,0,0,0|0,2,1]=4 671 B6R0.1 OCCN(CC)C 1P00BI0H [0,0,1,0,0,0|2,1,0]=4 672 B6R0.1 OCCN(CC)N 1P01C4O7 [0,0,1,0,0,0|2,1,0]=4 673 B6R0.1 OCC[C@@H](CC)N 1P028XN3 [0,0,1,0,0,0|1,1,1]=4 674 B6R0.1 OCC[C@H](CC)N 1P028ZSN [0,0,1,0,0,0|1,1,1]=4 675 B6R0.1 OCNC(=O)CCl 1P003TP1 [0,0,1,0,0,0|2,1,0]=4 676 B6R0.1 OC\C=C(/CC)\C 1P0031SF [0,0,1,0,0,0|1,1,1]=4 677 B6R0.1 OC\C=C(\CC)/C 1P0031SO [0,0,1,0,0,0|1,1,1]=4 678 B6R0.1 ONC(=O)CCCl 1P01BE4Y [0,0,1,0,0,0|3,0,0]=4 679 B6R0.1 SCCC(=O)CC 1P01BV4A [0,0,1,0,0,0|0,0,0]=1 680 B6R0.1 SCCN(CC)C 1P01DX0O [0,0,1,0,0,0|2,0,0]=3 681 B6R0.1 SCC[C@@H](CS)N 1P00A0DB [0,0,1,0,0,0|2,0,1]=4 682 B6R0.1 [C-]#[N+]CC(=O)OC 1P003SHD [0,0,1,0,0,0|3,0,0]=4 683 B6R0.1 [N-]=[N+]=CC(=O)CC 1P01RL9O [0,0,1,0,0,0|2,0,1]=4 684 B6R0.3 BrCC(=O)C(Br)C 1P0059GU [0,0,1,0,0,0|2,0,0]=3 685 B6R0.3 BrCC(=O)C(C)C 1P002CQP [0,0,1,0,0,0|2,0,0]=3 686 B6R0.3 BrCC(=O)C(F)F 1P01B923 [0,0,1,0,0,0|3,0,0]=4 687 B6R0.3 BrCC(=O)N(C)C 1P0037QR [0,0,1,0,0,0|3,0,0]=4 688 B6R0.3 C=CC(=O)C(C)C 1P001SJ3 [0,0,1,0,0,0|1,0,2]=4 689 B6R0.3 CC(=CC)C(=O)O 1P0010JQ [0,0,1,0,0,0|2,0,1]=4 690 B6R0.3 CC(=O)C(=O)CBr 1P00DFOD [0,0,1,0,0,0|1,1,1]=4 691 B6R0.3 CC(=O)C(=O)CCl 1P00DLOO [0,0,1,0,0,0|1,1,1]=4 692 B6R0.3 CC(=O)C(CO)O 1P01DWYU [0,0,1,0,0,0|3,0,0]=4 693 B6R0.3 CC(C(=C)C)CBr 1P01IN35 [0,0,1,0,0,0|3,0,0]=4 694 B6R0.3 CC(C(=C)C)CO 1P01BSQ5 [0,0,1,0,0,0|3,0,0]=4 695 B6R0.3 CC(C(=N)N)CC 1P019XUO [0,0,1,0,0,0|3,0,0]=4 696 B6R0.3 CC(C(=N)N)OC 1P019Z90 [0,0,1,0,0,0|2,1,0]=4 697 B6R0.3 CC(C(=N)N)SC 1P0286CT [0,0,1,0,0,0|2,0,0]=3 698 B6R0.3 CC(C(=O)C)C#N 1P00DEQK [0,0,1,0,0,0|2,0,0]=3 699 B6R0.3 CC(C(=O)C)CO 1P003LYQ [0,0,1,0,0,0|2,0,0]=3 700 B6R0.3 CC(C(=O)CCl)N 1P01C1VM [0,0,1,0,0,0|2,0,0]=3 701 B6R0.3 CC(C(=O)N)C#N 1P005SOR [0,0,1,0,0,0|3,0,0]=4 702 B6R0.3 CC(C(=O)N)CC 1P0082Z0 [0,0,1,0,0,0|2,0,0]=3 703 B6R0.3 CC(C(=O)N)NC 1P00C8TM [0,0,1,0,0,0|2,0,0]=3 704 B6R0.3 CC(C(=O)N)NC 1P01A4VK [0,0,1,0,0,0|2,0,0]=3 705 B6R0.3 CC(C(=O)N)OC 1P01AKMI [0,0,1,0,0,0|1,1,0]=3 706 B6R0.3 CC(C(=O)N)SC 1P028ALZ [0,0,1,0,0,0|1,0,0]=2 707 B6R0.3 CC(C(=O)NN)O 1P002TZE [0,0,1,0,0,0|2,1,0]=4 708 B6R0.3 CC(C(=O)NN)S 1P0286RQ [0,0,1,0,0,0|2,0,0]=3 709 B6R0.3 CC(C(=O)O)C#N 1P00EBJM [0,0,1,0,0,0|3,0,0]=4 710 B6R0.3 CC(C(=O)O)C=C 1P00DA69 [0,0,1,0,0,0|2,0,1]=4 711 B6R0.3 CC(C(=O)O)CBr 1P00342O [0,0,1,0,0,0|3,0,0]=4 712 B6R0.3 CC(C(=O)O)CC 1P000BT8 [0,0,1,0,0,0|2,0,0]=3 713 B6R0.3 CC(C(=O)O)CF 1P01B7CT [0,0,1,0,0,0|3,0,0]=4 714 B6R0.3 CC(C(=O)O)CN 1P001J7M [0,0,1,0,0,0|3,0,0]=4 715 B6R0.3 CC(C(=O)O)CN 1P00381Y [0,0,1,0,0,0|3,0,0]=4 716 B6R0.3 CC(C(=O)O)CN 1P00C2SB [0,0,1,0,0,0|3,0,0]=4 717 B6R0.3 CC(C(=O)O)CS 1P002TTJ [0,0,1,0,0,0|3,0,0]=4 718 B6R0.3 CC(C(=O)O)NC 1P003BEG [0,0,1,0,0,0|2,0,0]=3 719 B6R0.3 CC(C(=O)O)NC 1P00CLMV [0,0,1,0,0,0|2,0,0]=3 720 B6R0.3 CC(C(=O)O)OC 1P0037PR [0,0,1,0,0,0|1,1,0]=3 721 B6R0.3 CC(C(=O)O)ON 1P003AZJ [0,0,1,0,0,0|2,1,0]=4 722 B6R0.3 CC(C(=O)O)SC 1P00EEEC [0,0,1,0,0,0|1,0,0]=2 723 B6R0.3 CC(C(=S)N)CC 1P01AD68 [0,0,1,0,0,0|2,1,0]=4 724 B6R0.3 CC(C(=S)N)OC 1P019YTS [0,0,1,0,0,0|1,2,0]=4 725 B6R0.3 CC(C(S)C)CO 1P00347B [0,0,1,0,0,0|2,0,1]=4 726 B6R0.3 CC(S(=O)C)CN 1P01A2LM [0,0,1,0,0,0|3,0,0]=4 727 B6R0.3 CC(S(=O)Cl)CC 1P01C8L7 [0,0,1,0,0,0|3,0,0]=4 728 B6R0.3 CC=C(C(=O)C)C 1P00EA6O [0,0,1,0,0,0|1,0,1]=3 729 B6R0.3 CCC(=C(C)C)C 1P008TP4 [0,0,1,0,0,0|2,0,1]=4 730 B6R0.3 CCC(=O)C(=C)C 1P00CDIA [0,0,1,0,0,0|1,0,1]=3 731 B6R0.3 CCC(=O)C(=O)O 1P003HYL [0,0,1,0,0,0|1,1,1]=4 732 B6R0.3 CCC(=O)C(Br)C 1P0052P7 [0,0,1,0,0,0|1,0,0]=2 733 B6R0.3 CCC(=O)C(C)C 1P00E9N8 [0,0,1,0,0,0|1,0,0]=2 734 B6R0.3 CCC(=O)C(Cl)C 1P007UU5 [0,0,1,0,0,0|1,0,0]=2 735 B6R0.3 CCC(=O)C(F)F 1P01XBYL [0,0,1,0,0,0|2,0,0]=3 736 B6R0.3 CCC(=O)C(N)C 1P024M3X [0,0,1,0,0,0|1,0,0]=2 737 B6R0.3 CCC(=O)C(O)C 1P00EZCO [0,0,1,0,0,0|0,1,0]=2 738 B6R0.3 CCC(=O)C(S)C 1P00AE60 [0,0,1,0,0,0|0,0,0]=1 739 B6R0.3 CCC(=O)N(C)C 1P003T2A [0,0,1,0,0,0|2,0,0]=3 740 B6R0.3 CCC(=S)N(C)C 1P01HB94 [0,0,1,0,0,0|2,1,0]=4 741 B6R0.3 CCC(C(=O)Br)Br 1P002S1O [0,0,1,0,0,0|3,0,0]=4 742 B6R0.3 CCC(C(=O)C)Br 1P008MK8 [0,0,1,0,0,0|2,0,0]=3 743 B6R0.3 CCC(C(=O)C)C 1P0037NS [0,0,1,0,0,0|1,0,0]=2 744 B6R0.3 CCC(C(=O)C)S 1P003K2Z [0,0,1,0,0,0|2,0,0]=3 745 B6R0.3 CCC(C(=O)Cl)Br 1P007Q0D [0,0,1,0,0,0|3,0,0]=4 746 B6R0.3 CCC(C(=O)Cl)Cl 1P003HIO [0,0,1,0,0,0|3,0,0]=4 747 B6R0.3 CCC(C(=O)N)Br 1P00394S [0,0,1,0,0,0|3,0,0]=4 748 B6R0.3 CCC(C(=O)N)Cl 1P003HIM [0,0,1,0,0,0|3,0,0]=4 749 B6R0.3 CCC(C(=O)N)N 1P00DIK4 [0,0,1,0,0,0|3,0,0]=4 750 B6R0.3 CCC(C(=O)N)N 1P01ALHP [0,0,1,0,0,0|3,0,0]=4 751 B6R0.3 CCC(C(=O)N)O 1P01A5K5 [0,0,1,0,0,0|3,0,0]=4 752 B6R0.3 CCC(C(=O)O)Br 1P003720 [0,0,1,0,0,0|3,0,0]=4 753 B6R0.3 CCC(C(=O)O)Cl 1P003HIN [0,0,1,0,0,0|3,0,0]=4 754 B6R0.3 CCC(C(=O)O)O 1P003Q9H [0,0,1,0,0,0|3,0,0]=4 755 B6R0.3 CCC(C(=O)O)S 1P002TTI [0,0,1,0,0,0|3,0,0]=4 756 B6R0.3 CCC(C(Br)C)C 1P01C37E [0,0,1,0,0,0|2,0,1]=4 757 B6R0.3 CCC(C(C)C)C 1P003G15 [0,0,1,0,0,0|2,0,1]=4 758 B6R0.3 CCC(C(C)C)Cl 1P028MON [0,0,1,0,0,0|2,0,1]=4 759 B6R0.3 CCC(C(C)C)N 1P019XTU [0,0,1,0,0,0|2,0,1]=4 760 B6R0.3 CCC(C(C)C)O 1P003I6Q [0,0,1,0,0,0|1,0,2]=4 761 B6R0.3 CCC(C(Cl)C)C 1P01DTIT [0,0,1,0,0,0|2,0,1]=4 762 B6R0.3 CCC(C(N)C)C 1P007CWD [0,0,1,0,0,0|2,0,1]=4 763 B6R0.3 CCC(C(N)C)C 1P01AKCI [0,0,1,0,0,0|2,0,1]=4 764 B6R0.3 CCC(C(N)C)O 1P01A9UN [0,0,1,0,0,0|1,0,2]=4 765 B6R0.3 CCC(C(O)C)C 1P003K61 [0,0,1,0,0,0|1,0,2]=4 766 B6R0.3 CCC(C(O)C)N 1P01AVCT [0,0,1,0,0,0|1,1,1]=4 767 B6R0.3 CCC(C(O)C)O 1P00397E [0,0,1,0,0,0|0,1,2]=4 768 B6R0.3 CCN(C(=O)C)C 1P00D490 [0,0,1,0,0,0|2,0,0]=3 769 B6R0.3 CC[C@@H](C(=O)N)N 1P003RNL [0,0,1,0,0,0|3,0,0]=4 770 B6R0.3 CC[C@@H](C(=O)N)N 1P00FCWE [0,0,1,0,0,0|3,0,0]=4 771 B6R0.3 CC[C@@H](C(=O)O)Br 1P00C7MK [0,0,1,0,0,0|3,0,0]=4 772 B6R0.3 CC[C@@H](C(=O)O)N 1P001LWU [0,0,1,0,0,0|3,0,0]=4 773 B6R0.3 CC[C@@H](C(=O)O)N 1P003REQ [0,0,1,0,0,0|3,0,0]=4 774 B6R0.3 CC[C@@H](C(=O)O)O 1P00382V [0,0,1,0,0,0|3,0,0]=4 775 B6R0.3 CC[C@@H](C(=O)O)S 1P00HI32 [0,0,1,0,0,0|3,0,0]=4 776 B6R0.3 CC[C@@H](C(C)C)N 1P01B2L1 [0,0,1,0,0,0|2,0,1]=4 777 B6R0.3 CC[C@@H](C(C)C)O 1P01DX2T [0,0,1,0,0,0|1,0,2]=4 778 B6R0.3 CC[C@@H]([C@@H](O)C)N 1P01XDIC [0,0,1,0,0,0|1,1,1]=4 779 B6R0.3 CC[C@@H]([C@H](N)C)C 1P01FJYA [0,0,1,0,0,0|2,0,1]=4 780 B6R0.3 CC[C@@H]([C@H](O)C)N 1P01EFZM [0,0,1,0,0,0|1,1,1]=4 781 B6R0.3 CC[C@H](C(=O)N)N 1P0032U6 [0,0,1,0,0,0|3,0,0]=4 782 B6R0.3 CC[C@H](C(=O)O)Br 1P006UE3 [0,0,1,0,0,0|3,0,0]=4 783 B6R0.3 CC[C@H](C(=O)O)Cl 1P003CM0 [0,0,1,0,0,0|3,0,0]=4 784 B6R0.3 CC[C@H](C(=O)O)N 1P002SV0 [0,0,1,0,0,0|3,0,0]=4 785 B6R0.3 CC[C@H](C(=O)O)O 1P002D2A [0,0,1,0,0,0|3,0,0]=4 786 B6R0.3 CC[C@H](C(C)C)N 1P01B2L3 [0,0,1,0,0,0|2,0,1]=4 787 B6R0.3 CC[C@H](C(C)C)O 1P01DX0X [0,0,1,0,0,0|1,0,2]=4 788 B6R0.3 CC[C@H]([C@@H](O)C)N 1P01JUYU [0,0,1,0,0,0|1,1,1]=4 789 B6R0.3 CC[C@H]([C@@H](O)C)N 1P01K8CX [0,0,1,0,0,0|1,1,1]=4 790 B6R0.3 CC[C@H]([C@H](O)C)N 1P00K8Q8 [0,0,1,0,0,0|1,1,1]=4 791 B6R0.3 CC[C@H]([C@H](O)C)N 1P024U1N [0,0,1,0,0,0|1,1,1]=4 792 B6R0.3 CN(C(=O)C)C=C 1P003TOY [0,0,1,0,0,0|2,0,1]=4 793 B6R0.3 CN(C(=O)CN)O 1P01DWSB [0,0,1,0,0,0|2,1,0]=4 794 B6R0.3 CN(C(=O)Cl)CC 1P003THC [0,0,1,0,0,0|3,0,0]=4 795 B6R0.3 CN(C(=O)Cl)OC 1P002ZXO [0,0,1,0,0,0|2,1,0]=4 796 B6R0.3 CNC(=O)C(=C)C 1P003TMG [0,0,1,0,0,0|2,0,1]=4 797 B6R0.3 CNC(=O)C(Br)C 1P00J7KD [0,0,1,0,0,0|2,0,0]=3 798 B6R0.3 CNC(=O)C(Br)F 1P00DD6M [0,0,1,0,0,0|3,0,0]=4 799 B6R0.3 CNC(=O)C(Cl)C 1P003HJL [0,0,1,0,0,0|2,0,0]=3 800 B6R0.3 CNC(=O)C(N)C 1P00C945 [0,0,1,0,0,0|2,0,0]=3 801 B6R0.3 CNC(=O)C(N)C 1P00D3XQ [0,0,1,0,0,0|2,0,0]=3 802 B6R0.3 CNC(=O)C(O)C 1P01BGYW [0,0,1,0,0,0|1,1,0]=3 803 B6R0.3 CNC(=O)N(C)C 1P003VLG [0,0,1,0,0,0|3,0,0]=4 804 B6R0.3 CNC(=O)[C@@H](N)C 1P00E9L3 [0,0,1,0,0,0|2,0,0]=3 805 B6R0.3 CNC(=O)[C@@H](O)C 1P01DT9Q [0,0,1,0,0,0|1,1,0]=3 806 B6R0.3 CNC(=O)[C@H](N)C 1P00A8IQ [0,0,1,0,0,0|2,0,0]=3 807 B6R0.3 CNC(=O)[C@H](O)C 1P01DT9E [0,0,1,0,0,0|1,1,0]=3 808 B6R0.3 CNC(C(C)C)C 1P00C9CD [0,0,1,0,0,0|2,0,1]=4 809 B6R0.3 CNC(C(C)C)C 1P019F0U [0,0,1,0,0,0|2,0,1]=4 810 B6R0.3 COC(=N)C(C)C 1P00I89Q [0,0,1,0,0,0|3,0,0]=4 811 B6R0.3 COC(=O)C(=C)C 1P003SHL [0,0,1,0,0,0|2,0,1]=4 812 B6R0.3 COC(=O)C(=O)C 1P003SJ7 [0,0,1,0,0,0|1,1,1]=4 813 B6R0.3 COC(=O)C(Br)Br 1P00EA1P [0,0,1,0,0,0|3,0,0]=4 814 B6R0.3 COC(=O)C(Br)C 1P0035MN [0,0,1,0,0,0|2,0,0]=3 815 B6R0.3 COC(=O)C(C)C 1P0035PL [0,0,1,0,0,0|2,0,0]=3 816 B6R0.3 COC(=O)C(Cl)C 1P00254C [0,0,1,0,0,0|2,0,0]=3 817 B6R0.3 COC(=O)C(Cl)Cl 1P000BT7 [0,0,1,0,0,0|3,0,0]=4 818 B6R0.3 COC(=O)C(F)C 1P002OJG [0,0,1,0,0,0|2,0,0]=3 819 B6R0.3 COC(=O)C(F)F 1P0035PE [0,0,1,0,0,0|3,0,0]=4 820 B6R0.3 COC(=O)C(N)C 1P00359D [0,0,1,0,0,0|2,0,0]=3 821 B6R0.3 COC(=O)C(O)C 1P003SGS [0,0,1,0,0,0|1,1,0]=3 822 B6R0.3 COC(=O)C(S)C 1P00DE8J [0,0,1,0,0,0|1,0,0]=2 823 B6R0.3 COC(=O)N(C)C 1P01EIEX [0,0,1,0,0,0|3,0,0]=4 824 B6R0.3 COC(=O)N(N)C 1P002IVE [0,0,1,0,0,0|3,0,0]=4 825 B6R0.3 COC(=O)[C@@H](Cl)C 1P003BSC [0,0,1,0,0,0|2,0,0]=3 826 B6R0.3 COC(=O)[C@@H](N)C 1P002QBA [0,0,1,0,0,0|2,0,0]=3 827 B6R0.3 COC(=O)[C@@H](O)C 1P0035LT [0,0,1,0,0,0|1,1,0]=3 828 B6R0.3 COC(=O)[C@H](Br)C 1P002D9M [0,0,1,0,0,0|2,0,0]=3 829 B6R0.3 COC(=O)[C@H](N)C 1P0038KG [0,0,1,0,0,0|2,0,0]=3 830 B6R0.3 COC(=O)[C@H](O)C 1P0032RK [0,0,1,0,0,0|1,1,0]=3 831 B6R0.3 COC(C(=O)C)C 1P01A0W5 [0,0,1,0,0,0|0,1,0]=2 832 B6R0.3 COC(C(Br)C)C 1P01BYDF [0,0,1,0,0,0|1,1,1]=4 833 B6R0.3 COC(C(N)C)C 1P01ALIL [0,0,1,0,0,0|1,1,1]=4 834 B6R0.3 COC(C(O)C)C 1P00DK0D [0,0,1,0,0,0|0,1,2]=4 835 B6R0.3 COC(C(S)C)C 1P0289S0 [0,0,1,0,0,0|0,2,1]=4 836 B6R0.3 COC([C@@H](N)C)C 1P01B1OR [0,0,1,0,0,0|1,1,1]=4 837 B6R0.3 COC([C@H](N)C)C 1P00AO5T [0,0,1,0,0,0|1,1,1]=4 838 B6R0.3 CON(C(=O)C)C 1P0035UT [0,0,1,0,0,0|1,1,0]=3 839 B6R0.3 CO[C@@H]([C@H](N)C)C 1P02870Y [0,0,1,0,0,0|1,1,1]=4 840 B6R0.3 CO[C@H]([C@@H](N)C)C 1P028NAF [0,0,1,0,0,0|1,1,1]=4 841 B6R0.3 CSC(C(N)C)C 1P028FBV [0,0,1,0,0,0|1,0,1]=3 842 B6R0.3 CSC(C(O)C)C 1P001W4K [0,0,1,0,0,0|0,0,2]=3 843 B6R0.3 C[C@@H](C(=C)CBr)O 1P01BU6X [0,0,1,0,0,0|2,1,0]=4 844 B6R0.3 C[C@@H](C(=O)CBr)N 1P028022 [0,0,1,0,0,0|2,0,0]=3 845 B6R0.3 C[C@@H](C(=O)N)NC 1P00J3DG [0,0,1,0,0,0|2,0,0]=3 846 B6R0.3 C[C@@H](C(=O)O)CC 1P0032VK [0,0,1,0,0,0|2,0,0]=3 847 B6R0.3 C[C@@H](C(=O)O)CN 1P00BI27 [0,0,1,0,0,0|3,0,0]=4 848 B6R0.3 C[C@@H](C(=O)O)NC 1P00I86T [0,0,1,0,0,0|2,0,0]=3 849 B6R0.3 C[C@@H](C(=O)O)OC 1P0039C4 [0,0,1,0,0,0|1,1,0]=3 850 B6R0.3 C[C@@H](C(=O)O)ON 1P01XFJR [0,0,1,0,0,0|2,1,0]=4 851 B6R0.3 C[C@@H](O)[C@@H](N)CC 1P01FWTF [0,0,1,0,0,0|1,1,1]=4 852 B6R0.3 C[C@H](C(=O)N)NC 1P00J3CW [0,0,1,0,0,0|2,0,0]=3 853 B6R0.3 C[C@H](C(=O)NO)N 1P01DWTY [0,0,1,0,0,0|3,0,0]=4 854 B6R0.3 C[C@H](C(=O)O)CC 1P0032WP [0,0,1,0,0,0|2,0,0]=3 855 B6R0.3 C[C@H](C(=O)O)CN 1P00CJ9Y [0,0,1,0,0,0|3,0,0]=4 856 B6R0.3 C[C@H](C(=O)O)CN 1P00H3B0 [0,0,1,0,0,0|3,0,0]=4 857 B6R0.3 C[C@H](C(=O)O)NC 1P002YZ5 [0,0,1,0,0,0|2,0,0]=3 858 B6R0.3 C[C@H](C(=O)O)OC 1P0032UO [0,0,1,0,0,0|1,1,0]=3 859 B6R0.3 C[C@H](C(=O)O)ON 1P01XFIY [0,0,1,0,0,0|2,1,0]=4 860 B6R0.3 C\C(=C/C)\C(=O)O 1P00365V [0,0,1,0,0,0|2,0,1]=4 861 B6R0.3 C\C(=C\C)\C(=O)O 1P00EARA [0,0,1,0,0,0|2,0,1]=4 862 B6R0.3 C\C(=N/O)\C(=O)C 1P00IAMV [0,0,1,0,0,0|2,0,1]=4 863 B6R0.3 C\C=C(\C(=O)C)/C 1P027W3W [0,0,1,0,0,0|1,0,1]=3 864 B6R0.3 ClCC(=O)C(C)C 1P0025F5 [0,0,1,0,0,0|2,0,0]=3 865 B6R0.3 ClCC(=O)C(Cl)C 1P001XMQ [0,0,1,0,0,0|2,0,0]=3 866 B6R0.3 ClCC(=O)C(Cl)Cl 1P003DNA [0,0,1,0,0,0|3,0,0]=4 867 B6R0.3 ClCC(=O)N(C)C 1P003HJI [0,0,1,0,0,0|3,0,0]=4 868 B6R0.3 ICC(=O)N(C)C 1P008QTC [0,0,1,0,0,0|3,0,0]=4 869 B6R0.3 NCC(=O)C(C)C 1P01AI3X [0,0,1,0,0,0|2,0,0]=3 870 B6R0.3 NCC(=O)N(C)C 1P002DCJ [0,0,1,0,0,0|3,0,0]=4 871 B6R0.3 NCC(=O)N(C)C 1P00374V [0,0,1,0,0,0|3,0,0]=4 872 B6R0.3 NCC(=O)N(C)C 1P00774H [0,0,1,0,0,0|3,0,0]=4 873 B6R0.3 NNC(=O)C(C)C 1P00I7MY [0,0,1,0,0,0|3,0,0]=4 874 B6R0.3 O=CC(C(=O)C)Br 1P008EEH [0,0,1,0,0,0|3,0,0]=4 875 B6R0.3 OCC(=O)C(C)C 1P00CYUK [0,0,1,0,0,0|2,0,0]=3 876 B6R0.3 OCC(=O)N(C)C 1P001EMJ [0,0,1,0,0,0|3,0,0]=4 877 B6R0.3 OCC(C(=O)O)C 1P002J5U [0,0,1,0,0,0|3,0,0]=4 878 B6R0.3 OC[C@H](C(=O)O)C 1P002FFU [0,0,1,0,0,0|3,0,0]=4 879 B6R0.3 [O-]C(=O)C(=O)CC 1P002DSR [0,0,1,0,0,0|1,1,1]=4 880 B6R0.3 [O-]C(=O)C(CC)O 1P00DA6V [0,0,1,0,0,0|3,0,0]=4 881 B6R0.3 [O-]C(=O)C(CO)C 1P00HH01 [0,0,1,0,0,0|3,0,0]=4 882 B6R0.3 [O-]C(=O)C(OC)F 1P01BFBH [0,0,1,0,0,0|2,1,0]=4 883 B6R0.3 [O-]S(=O)C(CC)C 1P01BCHM [0,0,1,0,0,0|3,0,0]=4 884 B6R0.6 BrCCCCC=C 1P003N8U [0,0,1,0,0,0|3,0,0]=4 885 B6R0.6 BrCCCCC=O 1P000IND [0,0,1,0,0,0|2,0,0]=3 886 B6R0.6 BrCCCOCC 1P00336B [0,0,1,0,0,0|1,1,1]=4 887 B6R0.6 BrCCCSCC 1P019SO2 [0,0,1,0,0,0|1,0,1]=3 888 B6R0.6 C=CCCCC=O 1P00375P [0,0,1,0,0,0|1,0,2]=4 889 B6R0.6 CC#CCCC=O 1P028892 [0,0,1,0,0,0|1,0,1]=3 890 B6R0.6 CCCC=CC=O 1P003VD0 [0,0,1,0,0,0|1,0,2]=4 891 B6R0.6 CCCCCC#C 1P003EUC [0,0,1,0,0,0|2,0,1]=4 892 B6R0.6 CCCCCC=C 1P003EUA [0,0,1,0,0,0|2,0,0]=3 893 B6R0.6 CCCCCC=O 1P0033AJ [0,0,1,0,0,0|1,0,0]=2 894 B6R0.6 CCCCCCBr 1P0035GN [0,0,1,0,0,0|2,0,1]=4 895 B6R0.6 CCCCCCN 1P001I02 [0,0,1,0,0,0|2,0,1]=4 896 B6R0.6 CCCCCCN 1P005P82 [0,0,1,0,0,0|2,0,1]=4 897 B6R0.6 CCCCCCO 1P003RDW [0,0,1,0,0,0|1,0,2]=4 898 B6R0.6 CCCCCC[Mg+] 1P003RE7 [0,0,1,0,0,0|2,0,1]=4 899 B6R0.6 CCCCCNC 1P003TP3 [0,0,1,0,0,0|3,0,0]=4 900 B6R0.6 CCCCCNN 1P00HWX3 [0,0,1,0,0,0|3,0,0]=4 901 B6R0.6 CCCCCSC 1P001ZXE [0,0,1,0,0,0|3,0,0]=4 902 B6R0.6 CCCCC[Mg]Br 1P003TRJ [0,0,1,0,0,0|3,0,0]=4 903 B6R0.6 CCCCN=C=O 1P0035IG [0,0,1,0,0,0|2,0,1]=4 904 B6R0.6 CCCCNC=O 1P004TQ7 [0,0,1,0,0,0|2,0,0]=3 905 B6R0.6 CCCCNCC 1P009AZS [0,0,1,0,0,0|2,0,1]=4 906 B6R0.6 CCCCOC=C 1P0038FE [0,0,1,0,0,0|3,0,0]=4 907 B6R0.6 CCCCSCC 1P003TBE [0,0,1,0,0,0|1,0,1]=3 908 B6R0.6 CCCNCC=C 1P00EEVI [0,0,1,0,0,0|3,0,0]=4 909 B6R0.6 CCCNCC=C 1P00J2H3 [0,0,1,0,0,0|3,0,0]=4 910 B6R0.6 CCCSSCC 1P0030MR [0,0,1,0,0,0|2,0,1]=4 911 B6R0.6 CCNCCC#C 1P028G9J [0,0,1,0,0,0|2,0,1]=4 912 B6R0.6 CCNCCC#N 1P003IOS [0,0,1,0,0,0|2,0,1]=4 913 B6R0.6 CCNCCC=C 1P028RU7 [0,0,1,0,0,0|2,0,0]=3 914 B6R0.6 CCOCCC#C 1P028X5B [0,0,1,0,0,0|1,1,1]=4 915 B6R0.6 CCOCCC#N 1P003JUQ [0,0,1,0,0,0|1,1,1]=4 916 B6R0.6 CCOCCC=C 1P028AU6 [0,0,1,0,0,0|1,1,0]=3 917 B6R0.6 CCOCCC=O 1P00BG9R [0,0,1,0,0,0|0,1,0]=2 918 B6R0.6 CCOCCNN 1P00J2UJ [0,0,1,0,0,0|2,1,0]=4 919 B6R0.6 CCOCCON 1P004104 [0,0,1,0,0,0|2,1,0]=4 920 B6R0.6 CCOCCON 1P01ADLQ [0,0,1,0,0,0|2,1,0]=4 921 B6R0.6 CCOCN=C=O 1P0285Y8 [0,0,1,0,0,0|1,1,1]=4 922 B6R0.6 CCSCCC#C 1P007FXM [0,0,1,0,0,0|1,0,1]=3 923 B6R0.6 CC\C=C/CC=O 1P003PF5 [0,0,1,0,0,0|1,0,1]=3 924 B6R0.6 CNCCCC=C 1P01AK5P [0,0,1,0,0,0|3,0,0]=4 925 B6R0.6 CNCCCC=C 1P01EMGO [0,0,1,0,0,0|3,0,0]=4 926 B6R0.6 CNCCOCC 1P007B7W [0,0,1,0,0,0|2,1,0]=4 927 B6R0.6 CNCCOCC 1P00AN7H [0,0,1,0,0,0|2,1,0]=4 928 B6R0.6 COCCCC=O 1P00CBQP [0,0,1,0,0,0|2,0,0]=3 929 B6R0.6 COCCNC=O 1P01DWWC [0,0,1,0,0,0|3,0,0]=4 930 B6R0.6 COCCNCC 1P003TGA [0,0,1,0,0,0|3,0,0]=4 931 B6R0.6 COCCNCC 1P00GMCJ [0,0,1,0,0,0|3,0,0]=4 932 B6R0.6 COCCSCCl 1P01BG89 [0,0,1,0,0,0|3,0,0]=4 933 B6R0.6 CSCCCC=O 1P00D7TQ [0,0,1,0,0,0|2,0,0]=3 934 B6R0.6 CSCCNCC 1P01C5HY [0,0,1,0,0,0|3,0,0]=4 935 B6R0.6 CSSCCCO 1P028DQG [0,0,1,0,0,0|1,0,2]=4 936 B6R0.6 ClCCCCC=O 1P002DET [0,0,1,0,0,0|2,0,0]=3 937 B6R0.6 ClCCCOCC 1P007857 [0,0,1,0,0,0|1,1,1]=4 938 B6R0.6 FCCCNCC 1P028MP3 [0,0,1,0,0,0|2,0,1]=4 939 B6R0.6 ICCCCC=C 1P002IJY [0,0,1,0,0,0|3,0,0]=4 940 B6R0.6 ICCCOCC 1P000LEZ [0,0,1,0,0,0|1,1,1]=4 941 B6R0.6 NCCCCC=C 1P007HPO [0,0,1,0,0,0|3,0,0]=4 942 B6R0.6 NCCCNCC 1P0084W6 [0,0,1,0,0,0|2,0,1]=4 943 B6R0.6 NCCCOCC 1P00IBKM [0,0,1,0,0,0|1,1,1]=4 944 B6R0.6 O=CCCCC#C 1P002YHZ [0,0,1,0,0,0|1,0,2]=4 945 B6R0.6 O=CCCCC#N 1P007FNK [0,0,1,0,0,0|2,0,1]=4 946 B6R0.6 OCCCCC=C 1P0034QQ [0,0,1,0,0,0|3,0,0]=4 947 B6R0.6 OCCCCC=O 1P003A4R [0,0,1,0,0,0|2,0,0]=3 948 B6R0.6 OCCCNC=O 1P01I7G6 [0,0,1,0,0,0|3,0,0]=4 949 B6R0.6 OCCCNCC 1P003IOQ [0,0,1,0,0,0|1,0,2]=4 950 B6R0.6 OCCCOCC 1P003JU2 [0,0,1,0,0,0|0,1,2]=4 951 B6R0.6 OCCCSCC 1P003IOV [0,0,1,0,0,0|0,0,2]=3 952 B6R0.6 SCCCOCC 1P0291GZ [0,0,1,0,0,0|0,2,1]=4 953 B6R0.6 [C-]#[N+]CCOCC 1P0287SY [0,0,1,0,0,0|2,1,0]=4 954 B8R2.2 CC12CCCC1O2 1P00B5UC [0,0,0,1,0,0|1,0,2]=4 955 B8R2.2 CC12NCCC1C2 1P02864H [0,0,0,1,0,0|2,0,1]=4 956 B8R2.2 C[C@]12CCC[C@H]1O2 1P028VPG [0,0,0,1,0,0|1,0,2]=4 957 B8R2.2 N[C@@]12CCC[C@@H]1C2 1P029197 [0,0,0,1,0,0|2,0,1]=4 958 B8R2.4 NC1CC2CC1C2 1P0288ZQ [0,0,0,1,0,0|2,0,1]=4 959 B8R2.4 O=C1CC2CC1C2 1P006UW5 [0,0,0,1,0,0|1,0,0]=2 960 B8R2.22 C1CC2C(C1)CN2 1P01AKCA [0,0,0,1,0,0|2,0,1]=4 961 B8R2.22 C1C[C@H]2[C@@H](C1)CN2 1P00J2X0 [0,0,0,1,0,0|2,0,1]=4 962 B8R2.22 C1N[C@@H]2[C@H](C1)CC2 1P027TP6 [0,0,0,1,0,0|2,0,1]=4 963 B8R2.22 C1N[C@@H]2[C@H](C1)CC2 1P0285OE [0,0,0,1,0,0|2,0,1]=4 964 B8R2.38 BrC1CCC2C1C2 1P01BRWL [0,0,0,1,0,0|2,0,1]=4 965 B8R2.38 NC1CCC2C1C2 1P01BHG3 [0,0,0,1,0,0|2,0,1]=4 966 B8R2.38 N[C@@H]1CC[C@H]2[C@@H]1C2 1P028241 [0,0,0,1,0,0|2,0,1]=4 967 B8R2.38 O=C1CCC2C1C2 1P00724D [0,0,0,1,0,0|1,0,0]=2 968 B8R2.38 O=C1CCC2C1O2 1P0064UN [0,0,0,1,0,0|2,0,0]=3 969 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 1P01DY7L [0,0,0,1,0,0|1,0,0]=2 970 B8R2.38 O=C1NCC2C1C2 1P0011BS [0,0,0,1,0,0|2,0,0]=3 971 B8R2.38 O=C1NC[C@@H]2[C@H]1C2 1P01FYY3 [0,0,0,1,0,0|2,0,0]=3 972 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 1P020A2J [0,0,0,1,0,0|2,0,0]=3 973 B6R1.4 BrC1CCC1C 1P00G73Q [0,0,0,0,1,0|1,0,1]=3 974 B6R1.4 Br[C@@H]1CC[C@H]1F 1P028KGI [0,0,0,0,1,0|2,0,1]=4 975 B6R1.4 Br[C@H]1CC[C@H]1O 1P0284RU [0,0,0,0,1,0|1,0,2]=4 976 B6R1.4 CC1CNC1=O 1P01DXX0 [0,0,0,0,1,0|1,0,0]=2 977 B6R1.4 CC1NCC1C 1P01AMSK [0,0,0,0,1,0|2,0,1]=4 978 B6R1.4 CC1OCC1=O 1P00IL5Y [0,0,0,0,1,0|0,1,0]=2 979 B6R1.4 C[C@H]1NC[C@H]1C 1P024HDJ [0,0,0,0,1,0|2,0,1]=4 980 B6R1.4 FC1CCC1N 1P01JUSG [0,0,0,0,1,0|2,0,1]=4 981 B6R1.4 FC1CNC1C 1P01JV2O [0,0,0,0,1,0|2,0,1]=4 982 B6R1.4 F[C@@H]1CN[C@@H]1C 1P01KADB [0,0,0,0,1,0|2,0,1]=4 983 B6R1.4 F[C@@H]1CN[C@H]1C 1P01JVJL [0,0,0,0,1,0|2,0,1]=4 984 B6R1.4 F[C@H]1CC[C@H]1N 1P028OSK [0,0,0,0,1,0|2,0,1]=4 985 B6R1.4 F[C@H]1CN[C@@H]1C 1P01KACA [0,0,0,0,1,0|2,0,1]=4 986 B6R1.4 F[C@H]1CN[C@H]1C 1P01KAB8 [0,0,0,0,1,0|2,0,1]=4 987 B6R1.4 NC1CCC1C 1P01BB58 [0,0,0,0,1,0|1,0,1]=3 988 B6R1.4 NC1CNC1=O 1P01BSOU [0,0,0,0,1,0|2,0,0]=3 989 B6R1.4 N[C@@H]1CC[C@H]1C 1P027WJ7 [0,0,0,0,1,0|1,0,1]=3 990 B6R1.4 N[C@@H]1CNC1=O 1P01KAB4 [0,0,0,0,1,0|2,0,0]=3 991 B6R1.4 N[C@@H]1CNC1=O 1P027UE8 [0,0,0,0,1,0|2,0,0]=3 992 B6R1.4 N[C@H]1CNC1=O 1P000A5J [0,0,0,0,1,0|2,0,0]=3 993 B6R1.4 N[C@H]1CNC1=O 1P0029Z1 [0,0,0,0,1,0|2,0,0]=3 994 B6R1.4 O=C1CC=C1Br 1P028AHP [0,0,0,0,1,0|1,0,2]=4 995 B6R1.4 O=C1CCC1Br 1P000ISS [0,0,0,0,1,0|1,0,0]=2 996 B6R1.4 O=C1CCC1C 1P00B4N2 [0,0,0,0,1,0|0,0,0]=1 997 B6R1.4 O=C1CCC1N 1P01EIQW [0,0,0,0,1,0|1,0,0]=2 998 B6R1.4 O=C1CCN1N 1P01A4RJ [0,0,0,0,1,0|2,0,0]=3 999 B6R1.4 OC1CCC1C 1P001R53 [0,0,0,0,1,0|0,0,2]=3 1000 B6R1.4 OC1CCC1N 1P01A63L [0,0,0,0,1,0|1,0,2]=4 1001 B6R1.4 OC1CCC1O 1P01JV1P [0,0,0,0,1,0|1,0,2]=4 1002 B6R1.4 OC1CNC1=O 1P01A6LV [0,0,0,0,1,0|2,0,0]=3 1003 B6R1.4 OC1CNC1C 1P00IHGO [0,0,0,0,1,0|1,0,2]=4 1004 B6R1.4 OC1COC1C 1P00A0PR [0,0,0,0,1,0|0,1,2]=4 1005 B6R1.4 O[C@@H]1CC[C@@H]1N 1P002JA3 [0,0,0,0,1,0|1,0,2]=4 1006 B6R1.4 O[C@@H]1CC[C@@H]1O 1P00MDX3 [0,0,0,0,1,0|1,0,2]=4 1007 B6R1.4 O[C@@H]1CC[C@H]1N 1P00I3AC [0,0,0,0,1,0|1,0,2]=4 1008 B6R1.4 O[C@@H]1CC[C@H]1O 1P01JUJU [0,0,0,0,1,0|1,0,2]=4 1009 B6R1.4 O[C@@H]1CN[C@@H]1C 1P01JVJG [0,0,0,0,1,0|1,0,2]=4 1010 B6R1.4 O[C@@H]1CN[C@H]1C 1P01DXVT [0,0,0,0,1,0|1,0,2]=4 1011 B6R1.4 O[C@H]1CC[C@@H]1N 1P00J3BR [0,0,0,0,1,0|1,0,2]=4 1012 B6R1.4 O[C@H]1CC[C@H]1N 1P01E45Q [0,0,0,0,1,0|1,0,2]=4 1013 B6R1.4 O[C@H]1CN[C@@H]1C 1P01X8JQ [0,0,0,0,1,0|1,0,2]=4 1014 B6R1.4 O[C@H]1CN[C@H]1C 1P01JUT3 [0,0,0,0,1,0|1,0,2]=4 1015 B6R1.4 SC1CCC1O 1P028C1D [0,0,0,0,1,0|1,0,2]=4 1016 B6R1.4 S[C@@H]1CC[C@H]1N 1P028B7V [0,0,0,0,1,0|1,1,1]=4 1017 B6R1.4 S[C@@H]1CC[C@H]1O 1P02847Y [0,0,0,0,1,0|1,0,2]=4 1018 B6R1.4 S[C@H]1CC[C@H]1O 1P028AGK [0,0,0,0,1,0|1,0,2]=4 1019 B8R1.4 BrC1=CC(=O)CCC1 1P00EDPW [0,0,0,0,0,1|2,0,1]=4 1020 B8R1.4 BrC1CCCS(=O)C1 1P01B829 [0,0,0,0,0,1|3,0,0]=4 1021 B8R1.4 BrC1CCOC(C1)C 1P00A1PZ [0,0,0,0,0,1|1,1,1]=4 1022 B8R1.4 Br[C@@H]1CCO[C@@H](C1)C 1P028WUG [0,0,0,0,0,1|1,1,1]=4 1023 B8R1.4 C=C1CCCC(=O)O1 1P01DUS2 [0,0,0,0,0,1|1,0,2]=4 1024 B8R1.4 CC1=CC(=O)CCC1 1P000J01 [0,0,0,0,0,1|1,0,1]=3 1025 B8R1.4 CC1=CC(=O)NCC1 1P028DZG [0,0,0,0,0,1|2,0,1]=4 1026 B8R1.4 CC1=CC(=O)OCC1 1P00387W [0,0,0,0,0,1|2,0,1]=4 1027 B8R1.4 CC1=CC(CCC1)N 1P028JES [0,0,0,0,0,1|3,0,0]=4 1028 B8R1.4 CC1=CC(CCC1)O 1P003K5T [0,0,0,0,0,1|3,0,0]=4 1029 B8R1.4 CC1CC(=O)C=CC1 1P005K9T [0,0,0,0,0,1|1,0,2]=4 1030 B8R1.4 CC1CC(=O)C=CN1 1P01HWL9 [0,0,0,0,0,1|1,0,2]=4 1031 B8R1.4 CC1CCCC(=O)C1 1P003K7S [0,0,0,0,0,1|1,0,0]=2 1032 B8R1.4 CC1CCCC(=O)N1 1P0034U4 [0,0,0,0,0,1|1,0,0]=2 1033 B8R1.4 CC1CCCC(=O)O1 1P003VX8 [0,0,0,0,0,1|1,0,0]=2 1034 B8R1.4 CC1CCCC(C1)Br 1P001AJR [0,0,0,0,0,1|2,0,1]=4 1035 B8R1.4 CC1CCCC(C1)I 1P01C3DO [0,0,0,0,0,1|2,0,1]=4 1036 B8R1.4 CC1CCCC(C1)N 1P003K7T [0,0,0,0,0,1|2,0,1]=4 1037 B8R1.4 CC1CCCC(C1)N 1P00IGBE [0,0,0,0,0,1|2,0,1]=4 1038 B8R1.4 CC1CCCC(C1)O 1P003K7R [0,0,0,0,0,1|1,0,2]=4 1039 B8R1.4 CC1CCCC(C1)S 1P01A9X3 [0,0,0,0,0,1|1,1,1]=4 1040 B8R1.4 CC1CCCC(N1)C 1P003A3M [0,0,0,0,0,1|2,0,1]=4 1041 B8R1.4 CC1CCCC(N1)C 1P019LMS [0,0,0,0,0,1|2,0,1]=4 1042 B8R1.4 CC1CCN=C(C1)N 1P001WKT [0,0,0,0,0,1|3,0,0]=4 1043 B8R1.4 CC1CCN=C(S1)N 1P0071OO [0,0,0,0,0,1|3,0,0]=4 1044 B8R1.4 CC1CCNC(=N1)N 1P027YQK [0,0,0,0,0,1|3,0,0]=4 1045 B8R1.4 CC1CCNC(=O)C1 1P003AHU [0,0,0,0,0,1|2,0,0]=3 1046 B8R1.4 CC1CCNC(=O)O1 1P028C5M [0,0,0,0,0,1|2,0,0]=3 1047 B8R1.4 CC1CCOC(=O)C1 1P00978J [0,0,0,0,0,1|2,0,0]=3 1048 B8R1.4 CC1CCOC(=O)O1 1P001ZJR [0,0,0,0,0,1|2,0,0]=3 1049 B8R1.4 CC1CCOS(=O)O1 1P003M60 [0,0,0,0,0,1|3,0,0]=4 1050 B8R1.4 CC1CNCC(=C1)C 1P01BI0O [0,0,0,0,0,1|3,0,0]=4 1051 B8R1.4 CC1CNCC(=O)C1 1P01FJTW [0,0,0,0,0,1|2,0,0]=3 1052 B8R1.4 CC1CNCC(=O)N1 1P003AKO [0,0,0,0,0,1|2,0,0]=3 1053 B8R1.4 CC1COCC(=O)N1 1P00FBJD [0,0,0,0,0,1|2,0,0]=3 1054 B8R1.4 CC1NCCC(=O)C1 1P0013IP [0,0,0,0,0,1|1,0,0]=2 1055 B8R1.4 CC1NCCC(=O)C1 1P01EKA7 [0,0,0,0,0,1|1,0,0]=2 1056 B8R1.4 CC1NCCS(=O)C1 1P01AKAX [0,0,0,0,0,1|2,0,0]=3 1057 B8R1.4 CC1NCCS(=O)C1 1P028FPS [0,0,0,0,0,1|2,0,0]=3 1058 B8R1.4 CN1CCCC(=C)C1 1P024VXN [0,0,0,0,0,1|3,0,0]=4 1059 B8R1.4 CN1CCCC(=O)C1 1P003EYJ [0,0,0,0,0,1|2,0,0]=3 1060 B8R1.4 CN1CCCC(=O)C1 1P00CJAF [0,0,0,0,0,1|2,0,0]=3 1061 B8R1.4 CN1CCNC(=O)C1 1P0038FX [0,0,0,0,0,1|3,0,0]=4 1062 B8R1.4 CN1CCNC(C1)C 1P001728 [0,0,0,0,0,1|3,0,0]=4 1063 B8R1.4 CN1CCNC(C1)C 1P00BDPC [0,0,0,0,0,1|3,0,0]=4 1064 B8R1.4 CN1CCN[C@@H](C1)C 1P000GWR [0,0,0,0,0,1|3,0,0]=4 1065 B8R1.4 CN1CCN[C@@H](C1)C 1P0092RN [0,0,0,0,0,1|3,0,0]=4 1066 B8R1.4 CN1CCN[C@@H](C1)C 1P01JVC5 [0,0,0,0,0,1|3,0,0]=4 1067 B8R1.4 CN1CCN[C@@H](C1)C 1P028J0O [0,0,0,0,0,1|3,0,0]=4 1068 B8R1.4 CN1CCN[C@H](C1)C 1P000GWQ [0,0,0,0,0,1|3,0,0]=4 1069 B8R1.4 CN1CCN[C@H](C1)C 1P000GY9 [0,0,0,0,0,1|3,0,0]=4 1070 B8R1.4 CN1CCOC(=O)C1 1P00AODD [0,0,0,0,0,1|3,0,0]=4 1071 B8R1.4 C[C@@H]1CC=CC(=O)O1 1P000IL2 [0,0,0,0,0,1|1,0,2]=4 1072 B8R1.4 C[C@@H]1CCCC(=O)C1 1P003CM9 [0,0,0,0,0,1|1,0,0]=2 1073 B8R1.4 C[C@@H]1CCCC(=O)O1 1P00DE9U [0,0,0,0,0,1|1,0,0]=2 1074 B8R1.4 C[C@@H]1CCC[C@@H](C1)N 1P01JVLT [0,0,0,0,0,1|2,0,1]=4 1075 B8R1.4 C[C@@H]1CCC[C@@H](N1)C 1P005X8U [0,0,0,0,0,1|2,0,1]=4 1076 B8R1.4 C[C@@H]1CCC[C@H](N1)C 1P01BGTS [0,0,0,0,0,1|2,0,1]=4 1077 B8R1.4 C[C@@H]1CCN[C@@H](C1)C 1P01C4WU [0,0,0,0,0,1|2,0,1]=4 1078 B8R1.4 C[C@@H]1CNCC(=O)N1 1P000LY7 [0,0,0,0,0,1|2,0,0]=3 1079 B8R1.4 C[C@@H]1CNCC(=O)N1 1P00J39E [0,0,0,0,0,1|2,0,0]=3 1080 B8R1.4 C[C@@H]1COCC(=O)N1 1P000Q8W [0,0,0,0,0,1|2,0,0]=3 1081 B8R1.4 C[C@@H]1CSCC(=O)N1 1P028I6F [0,0,0,0,0,1|2,0,0]=3 1082 B8R1.4 C[C@@H]1NCCC(=O)C1 1P009YI7 [0,0,0,0,0,1|1,0,0]=2 1083 B8R1.4 C[C@@H]1NCCC(=O)C1 1P00IDGQ [0,0,0,0,0,1|1,0,0]=2 1084 B8R1.4 C[C@H]1CCCC(=O)N1 1P001OOB [0,0,0,0,0,1|1,0,0]=2 1085 B8R1.4 C[C@H]1CCCC(C1)=O 1P01KFQT [0,0,0,0,0,1|1,0,0]=2 1086 B8R1.4 C[C@H]1CCN[C@H](C1)C 1P00ADZG [0,0,0,0,0,1|2,0,1]=4 1087 B8R1.4 C[C@H]1CCN[C@H](C1)C 1P01BGSA [0,0,0,0,0,1|2,0,1]=4 1088 B8R1.4 C[C@H]1CNCC(=O)N1 1P00AO1X [0,0,0,0,0,1|2,0,0]=3 1089 B8R1.4 C[C@H]1CNCC(=O)N1 1P00BZA3 [0,0,0,0,0,1|2,0,0]=3 1090 B8R1.4 C[C@H]1COCC(=O)N1 1P000Q8X [0,0,0,0,0,1|2,0,0]=3 1091 B8R1.4 C[C@H]1CSCC(=O)N1 1P028EU9 [0,0,0,0,0,1|2,0,0]=3 1092 B8R1.4 C[C@H]1NCCC(=O)C1 1P00HXCI [0,0,0,0,0,1|1,0,0]=2 1093 B8R1.4 ClC1=CC(=O)CCC1 1P00EDPK [0,0,0,0,0,1|2,0,1]=4 1094 B8R1.4 FC1CCNC(=O)C1 1P024W9T [0,0,0,0,0,1|3,0,0]=4 1095 B8R1.4 F[C@@H]1CCN[C@@H](C1)C 1P01XA53 [0,0,0,0,0,1|2,0,1]=4 1096 B8R1.4 NC1=CC(=O)CCC1 1P003JB4 [0,0,0,0,0,1|2,0,1]=4 1097 B8R1.4 NC1CCCC(=O)C1 1P001M8M [0,0,0,0,0,1|2,0,0]=3 1098 B8R1.4 NC1CCNC(=O)C1 1P000RYQ [0,0,0,0,0,1|3,0,0]=4 1099 B8R1.4 NC1CCNC(=O)C1 1P0036HL [0,0,0,0,0,1|3,0,0]=4 1100 B8R1.4 NC1CCNC(C1)C 1P028CNC [0,0,0,0,0,1|2,0,1]=4 1101 B8R1.4 NC1CCOC(C1)C 1P003ZKW [0,0,0,0,0,1|1,1,1]=4 1102 B8R1.4 NC1CCOC(C1)C 1P00519V [0,0,0,0,0,1|1,1,1]=4 1103 B8R1.4 NC1CCSC(C1)C 1P01C7JD [0,0,0,0,0,1|1,0,1]=3 1104 B8R1.4 N[C@@H]1CCO[C@@H](C1)C 1P024TYS [0,0,0,0,0,1|1,1,1]=4 1105 B8R1.4 N[C@H]1CCO[C@@H](C1)C 1P024TRY [0,0,0,0,0,1|1,1,1]=4 1106 B8R1.4 O=C1CCC=C(O1)C 1P00C0V1 [0,0,0,0,0,1|1,0,1]=3 1107 B8R1.4 O=C1CCCC(=O)C1 1P003321 [0,0,0,0,0,1|2,0,1]=4 1108 B8R1.4 O=C1CCCC(=O)N1 1P003R8K [0,0,0,0,0,1|2,0,1]=4 1109 B8R1.4 O=C1CCCC(=O)O1 1P0035FI [0,0,0,0,0,1|2,0,1]=4 1110 B8R1.4 O=C1CCNC(=O)C1 1P003U9H [0,0,0,0,0,1|2,0,1]=4 1111 B8R1.4 O=C1CCNC(=O)N1 1P00DF59 [0,0,0,0,0,1|2,0,1]=4 1112 B8R1.4 O=C1CCOC(C1)C 1P000J00 [0,0,0,0,0,1|0,1,0]=2 1113 B8R1.4 OC1=CC(=O)CCC1 1P01KKE9 [0,0,0,0,0,1|2,0,1]=4 1114 B8R1.4 OC1CCCC(=C)C1 1P028FEV [0,0,0,0,0,1|3,0,0]=4 1115 B8R1.4 OC1CCCC(=C1)Br 1P028URX [0,0,0,0,0,1|3,0,0]=4 1116 B8R1.4 OC1CCCC(=O)C1 1P008LCR [0,0,0,0,0,1|2,0,0]=3 1117 B8R1.4 OC1CCNC(=O)C1 1P003LY9 [0,0,0,0,0,1|3,0,0]=4 1118 B8R1.4 OC1CCOC(C1)C 1P00GUYD [0,0,0,0,0,1|0,1,2]=4 1119 B8R1.4 O[C@@H]1CCNC(=O)C1 1P008SOD [0,0,0,0,0,1|3,0,0]=4 1120 B8R1.4 O[C@@H]1CCN[C@@H](C1)C 1P00IL7I [0,0,0,0,0,1|1,0,2]=4 1121 B8R1.4 O[C@@H]1CCN[C@@H](C1)C 1P01C0LN [0,0,0,0,0,1|1,0,2]=4 1122 B8R1.4 O[C@@H]1CCO[C@@H](C1)C 1P01JV7T [0,0,0,0,0,1|0,1,2]=4 1123 B8R1.4 O[C@@H]1CCO[C@H](C1)C 1P001WUB [0,0,0,0,0,1|0,1,2]=4 1124 B8R1.4 O[C@H]1CCNC(=O)C1 1P00DK2M [0,0,0,0,0,1|3,0,0]=4 1125 B8R1.4 O[C@H]1CCN[C@H](C1)C 1P009SXG [0,0,0,0,0,1|1,0,2]=4 1126 B8R1.4 O[C@H]1CCN[C@H](C1)C 1P021VDU [0,0,0,0,0,1|1,0,2]=4 1127 B8R1.4 O[C@H]1CCO[C@H](C1)C 1P00IDOT [0,0,0,0,0,1|0,1,2]=4 1128 B8R1.5 BrC1=CCCCC1Br 1P00AZTP [0,0,0,0,0,1|3,0,0]=4 1129 B8R1.5 BrC1=CCCCC1N 1P01FIJX [0,0,0,0,0,1|3,0,0]=4 1130 B8R1.5 BrC1=CCCCC1O 1P01DWZZ [0,0,0,0,0,1|3,0,0]=4 1131 B8R1.5 BrC1=CCCC[C@@H]1O 1P02870L [0,0,0,0,0,1|3,0,0]=4 1132 B8R1.5 BrC1=CCCC[C@H]1O 1P007TMY [0,0,0,0,0,1|3,0,0]=4 1133 B8R1.5 BrC1CCCCC1=O 1P0033MX [0,0,0,0,0,1|2,0,0]=3 1134 B8R1.5 C=C1CCCNC1=O 1P01UNYI [0,0,0,0,0,1|1,0,2]=4 1135 B8R1.5 CC1=C(Br)CCNC1 1P028Z5K [0,0,0,0,0,1|2,0,1]=4 1136 B8R1.5 CC1=C(Br)CNCC1 1P01BI13 [0,0,0,0,0,1|2,0,1]=4 1137 B8R1.5 CC1=C(C)CCNC1 1P01BHWG [0,0,0,0,0,1|2,0,1]=4 1138 B8R1.5 CC1=C(F)CNCC1 1P027W4X [0,0,0,0,0,1|2,0,1]=4 1139 B8R1.5 CC1=CCCCC1Br 1P028OOJ [0,0,0,0,0,1|3,0,0]=4 1140 B8R1.5 CC1=NCCCN1C 1P0037WR [0,0,0,0,0,1|3,0,0]=4 1141 B8R1.5 CC1=NCCN=C1C 1P001RXR [0,0,0,0,0,1|2,0,1]=4 1142 B8R1.5 CC1CCCCC1N 1P00ICGR [0,0,0,0,0,1|2,0,1]=4 1143 B8R1.5 CC1CCCCC1O 1P003BPW [0,0,0,0,0,1|1,0,2]=4 1144 B8R1.5 CC1CCNCC1N 1P028EG0 [0,0,0,0,0,1|2,0,1]=4 1145 B8R1.5 CC1CCNCC1O 1P00IJMD [0,0,0,0,0,1|1,0,2]=4 1146 B8R1.5 CC1CCOCC1N 1P027Y9Y [0,0,0,0,0,1|2,0,1]=4 1147 B8R1.5 CC1CNCCC1C 1P01A48L [0,0,0,0,0,1|2,0,1]=4 1148 B8R1.5 CC1CNCCC1O 1P0039XB [0,0,0,0,0,1|1,0,2]=4 1149 B8R1.5 CC1CNCCC1O 1P00CL8U [0,0,0,0,0,1|1,0,2]=4 1150 B8R1.5 CC1COCCC1N 1P000T5D [0,0,0,0,0,1|1,1,1]=4 1151 B8R1.5 CC1COCCC1N 1P01BEK6 [0,0,0,0,0,1|1,1,1]=4 1152 B8R1.5 CC1COCCC1O 1P00IG81 [0,0,0,0,0,1|0,1,2]=4 1153 B8R1.5 CC1NCCCC1C 1P00D9Q1 [0,0,0,0,0,1|2,0,1]=4 1154 B8R1.5 CC1NCCCC1C 1P01ALAD [0,0,0,0,0,1|2,0,1]=4 1155 B8R1.5 CC1NCCNC1=O 1P00C2JV [0,0,0,0,0,1|1,0,0]=2 1156 B8R1.5 CC1NCCNC1C 1P003G18 [0,0,0,0,0,1|2,0,1]=4 1157 B8R1.5 CC1OCCNC1C 1P00DLCT [0,0,0,0,0,1|1,1,1]=4 1158 B8R1.5 CC1SCCNC1C 1P00O83A [0,0,0,0,0,1|1,0,1]=3 1159 B8R1.5 CN1CCCCC1=O 1P003AK4 [0,0,0,0,0,1|2,0,0]=3 1160 B8R1.5 CN1CCNCC1C 1P002QRK [0,0,0,0,0,1|3,0,0]=4 1161 B8R1.5 CN1CCNCC1C 1P00FGFA [0,0,0,0,0,1|3,0,0]=4 1162 B8R1.5 CN1CCNC[C@@H]1C 1P00DK7H [0,0,0,0,0,1|3,0,0]=4 1163 B8R1.5 CN1CCNC[C@@H]1C 1P00DK7I [0,0,0,0,0,1|3,0,0]=4 1164 B8R1.5 CN1CCNC[C@H]1C 1P000GWS [0,0,0,0,0,1|3,0,0]=4 1165 B8R1.5 CN1CCNC[C@H]1C 1P00EIV3 [0,0,0,0,0,1|3,0,0]=4 1166 B8R1.5 CN1CNCNC1=O 1P028293 [0,0,0,0,0,1|3,0,0]=4 1167 B8R1.5 C[C@@H]1CCCC[C@@H]1Br 1P0280EL [0,0,0,0,0,1|2,0,1]=4 1168 B8R1.5 C[C@@H]1CCCC[C@@H]1C 1P003PE1 [0,0,0,0,0,1|2,0,1]=4 1169 B8R1.5 C[C@@H]1CCCC[C@@H]1N 1P00G8MD [0,0,0,0,0,1|2,0,1]=4 1170 B8R1.5 C[C@@H]1CCCC[C@H]1N 1P00CLGH [0,0,0,0,0,1|2,0,1]=4 1171 B8R1.5 C[C@@H]1CCCC[C@H]1O 1P002F01 [0,0,0,0,0,1|1,0,2]=4 1172 B8R1.5 C[C@@H]1CCNC[C@@H]1F 1P027TOY [0,0,0,0,0,1|2,0,1]=4 1173 B8R1.5 C[C@@H]1CCNC[C@@H]1O 1P028977 [0,0,0,0,0,1|1,0,2]=4 1174 B8R1.5 C[C@@H]1CCNC[C@H]1F 1P00I7UE [0,0,0,0,0,1|2,0,1]=4 1175 B8R1.5 C[C@@H]1CCNC[C@H]1O 1P00CLGI [0,0,0,0,0,1|1,0,2]=4 1176 B8R1.5 C[C@@H]1CNCC[C@H]1O 1P00ILFP [0,0,0,0,0,1|1,0,2]=4 1177 B8R1.5 C[C@@H]1COCC[C@@H]1N 1P01KXHQ [0,0,0,0,0,1|1,1,1]=4 1178 B8R1.5 C[C@@H]1COCC[C@H]1N 1P001YEY [0,0,0,0,0,1|1,1,1]=4 1179 B8R1.5 C[C@@H]1NCCNC1=O 1P0053A2 [0,0,0,0,0,1|1,0,0]=2 1180 B8R1.5 C[C@@H]1NCCN[C@@H]1C 1P00J08S [0,0,0,0,0,1|2,0,1]=4 1181 B8R1.5 C[C@@H]1OCCN[C@H]1C 1P01DI5Q [0,0,0,0,0,1|1,1,1]=4 1182 B8R1.5 C[C@H]1CCCC[C@@H]1O 1P001RPG [0,0,0,0,0,1|1,0,2]=4 1183 B8R1.5 C[C@H]1CCCC[C@H]1N 1P00GAEY [0,0,0,0,0,1|2,0,1]=4 1184 B8R1.5 C[C@H]1CCNC[C@H]1O 1P00IJM9 [0,0,0,0,0,1|1,0,2]=4 1185 B8R1.5 C[C@H]1NCCC[C@H]1C 1P01JUWG [0,0,0,0,0,1|2,0,1]=4 1186 B8R1.5 C[C@H]1NCCNC1=O 1P00GSHF [0,0,0,0,0,1|1,0,0]=2 1187 B8R1.5 C[C@H]1OCCN[C@H]1C 1P021XT5 [0,0,0,0,0,1|1,1,1]=4 1188 B8R1.5 ClC1CCCCC1=O 1P003HIS [0,0,0,0,0,1|2,0,0]=3 1189 B8R1.5 FC1=CCCCC1O 1P028CEM [0,0,0,0,0,1|3,0,0]=4 1190 B8R1.5 FC1CCCCC1=O 1P005YS7 [0,0,0,0,0,1|2,0,0]=3 1191 B8R1.5 F[C@@H]1CCCCC1=O 1P028GFM [0,0,0,0,0,1|2,0,0]=3 1192 B8R1.5 F[C@H]1CCCCC1=O 1P01H00W [0,0,0,0,0,1|2,0,0]=3 1193 B8R1.5 NC1CCCCC1=O 1P006DQM [0,0,0,0,0,1|2,0,0]=3 1194 B8R1.5 NN1CCCCC1=O 1P00CN7C [0,0,0,0,0,1|3,0,0]=4 1195 B8R1.5 NN1CCCCC1=O 1P00I6IO [0,0,0,0,0,1|3,0,0]=4 1196 B8R1.5 N[C@H]1CCCN[C@H]1C 1P0283LX [0,0,0,0,0,1|2,0,1]=4 1197 B8R1.5 O=C1CCCC=C1Br 1P00DBY4 [0,0,0,0,0,1|2,0,1]=4 1198 B8R1.5 O=C1CCCC=C1F 1P01H8QW [0,0,0,0,0,1|2,0,1]=4 1199 B8R1.5 O=C1CCCC=C1I 1P00C96U [0,0,0,0,0,1|2,0,1]=4 1200 B8R1.5 O=C1CCCNC1C 1P01EKAW [0,0,0,0,0,1|1,0,0]=2 1201 B8R1.5 O=C1CCCSC1C 1P01H7NC [0,0,0,0,0,1|0,0,0]=1 1202 B8R1.5 O=C1CCNCC1C 1P00D9KB [0,0,0,0,0,1|1,0,0]=2 1203 B8R1.5 O=C1CCNCC1C 1P00EAWB [0,0,0,0,0,1|1,0,0]=2 1204 B8R1.5 O=C1CCNCC1F 1P003JX6 [0,0,0,0,0,1|2,0,0]=3 1205 B8R1.5 O=C1CCNC[C@@H]1F 1P01QZOM [0,0,0,0,0,1|2,0,0]=3 1206 B8R1.5 O=C1CCNC[C@H]1F 1P01V7FY [0,0,0,0,0,1|2,0,0]=3 1207 B8R1.5 O=C1CCOCC1Br 1P003JLY [0,0,0,0,0,1|1,1,0]=3 1208 B8R1.5 O=C1CCOCC1C 1P000IPE [0,0,0,0,0,1|0,1,0]=2 1209 B8R1.5 O=C1CCOCC1Cl 1P001SDC [0,0,0,0,0,1|1,1,0]=3 1210 B8R1.5 O=C1CCOCC1F 1P00ED76 [0,0,0,0,0,1|1,1,0]=3 1211 B8R1.5 O=C1CCOCC1N 1P01BY05 [0,0,0,0,0,1|1,1,0]=3 1212 B8R1.5 O=C1CCSCC1C 1P00CNUF [0,0,0,0,0,1|0,0,0]=1 1213 B8R1.5 O=C1CCSCC1N 1P028XGC [0,0,0,0,0,1|1,0,0]=2 1214 B8R1.5 O=C1CNCCN1C 1P00339Y [0,0,0,0,0,1|2,0,0]=3 1215 B8R1.5 O=C1CNCCN1C 1P0082X5 [0,0,0,0,0,1|2,0,0]=3 1216 B8R1.5 O=C1COCCC1C 1P01A4DG [0,0,0,0,0,1|1,0,0]=2 1217 B8R1.5 O=C1COCCN1C 1P002JD6 [0,0,0,0,0,1|2,0,0]=3 1218 B8R1.5 O=C1COCCN1N 1P0281UE [0,0,0,0,0,1|3,0,0]=4 1219 B8R1.5 O=C1NCCC=C1Cl 1P002JUX [0,0,0,0,0,1|2,0,1]=4 1220 B8R1.5 O=C1NCCCC1Br 1P00C73B [0,0,0,0,0,1|2,0,0]=3 1221 B8R1.5 O=C1NCCCC1C 1P0038EB [0,0,0,0,0,1|1,0,0]=2 1222 B8R1.5 O=C1NCCCC1F 1P024NNP [0,0,0,0,0,1|2,0,0]=3 1223 B8R1.5 O=C1NCCCC1N 1P001956 [0,0,0,0,0,1|2,0,0]=3 1224 B8R1.5 O=C1NCCCC1N 1P002IIG [0,0,0,0,0,1|2,0,0]=3 1225 B8R1.5 O=C1NCCCC1O 1P003843 [0,0,0,0,0,1|2,0,0]=3 1226 B8R1.5 O=C1NCCCN1C 1P00956P [0,0,0,0,0,1|2,0,0]=3 1227 B8R1.5 O=C1NCCCN1C 1P01B4EP [0,0,0,0,0,1|2,0,0]=3 1228 B8R1.5 O=C1NCCCN1N 1P01A5FE [0,0,0,0,0,1|3,0,0]=4 1229 B8R1.5 O=C1NCCC[C@@H]1N 1P003D2F [0,0,0,0,0,1|2,0,0]=3 1230 B8R1.5 O=C1NCCC[C@@H]1N 1P00BYYC [0,0,0,0,0,1|2,0,0]=3 1231 B8R1.5 O=C1NCCC[C@H]1N 1P0036GF [0,0,0,0,0,1|2,0,0]=3 1232 B8R1.5 O=C1NCCC[C@H]1N 1P00GT49 [0,0,0,0,0,1|2,0,0]=3 1233 B8R1.5 O=C1NCCOC1C 1P001A41 [0,0,0,0,0,1|0,1,0]=2 1234 B8R1.5 O=C1NCCO[C@@H]1C 1P027YGY [0,0,0,0,0,1|0,1,0]=2 1235 B8R1.5 O=C1NCCS[C@@H]1C 1P01BSAR [0,0,0,0,0,1|0,0,0]=1 1236 B8R1.5 O=C1OCCC=C1Br 1P0094B9 [0,0,0,0,0,1|2,0,1]=4 1237 B8R1.5 O=C1OCCCC1Br 1P00J34K [0,0,0,0,0,1|2,0,0]=3 1238 B8R1.5 O=C1OCCCC1C 1P009RY2 [0,0,0,0,0,1|1,0,0]=2 1239 B8R1.5 O=C1OCCCN1N 1P027XE3 [0,0,0,0,0,1|3,0,0]=4 1240 B8R1.5 O=S1CCNCC1C 1P01AK1Q [0,0,0,0,0,1|2,0,0]=3 1241 B8R1.5 O=S1CCNCC1C 1P028YMC [0,0,0,0,0,1|2,0,0]=3 1242 B8R1.5 OC1CCCCC1=C 1P00763L [0,0,0,0,0,1|3,0,0]=4 1243 B8R1.5 OC1CCCCC1=C 1P01IFTD [0,0,0,0,0,1|3,0,0]=4 1244 B8R1.5 OC1CCCCC1=O 1P00DKBV [0,0,0,0,0,1|2,0,0]=3 1245 B8R1.5 OC1CCCNC1C 1P01AUXS [0,0,0,0,0,1|1,0,2]=4 1246 B8R1.5 S=C1NCCCN1C 1P006VFX [0,0,0,0,0,1|2,1,0]=4 1247 B8R1.5 S=C1NCCSC1C 1P0290ES [0,0,0,0,0,1|0,1,0]=2 1248 B8R1.5 SC1CCCCC1=O 1P01BIE3 [0,0,0,0,0,1|2,0,0]=3 1249 B5R0.1 CC#CC(=O)C 1P008R9O [1,0,1,0,0,0|1,0,1]=4 1250 B5R0.1 CC(=C)CCBr 1P002D6V [1,0,1,0,0,0|2,0,0]=4 1251 B5R0.1 CC(=C)CCI 1P01BBJI [1,0,1,0,0,0|2,0,0]=4 1252 B5R0.1 CC(=C)CCN 1P01AVCN [1,0,1,0,0,0|2,0,0]=4 1253 B5R0.1 CC(=C)CCO 1P003K67 [1,0,1,0,0,0|1,1,0]=4 1254 B5R0.1 CC(=O)CC#N 1P002PIW [1,0,1,0,0,0|1,0,1]=4 1255 B5R0.1 CC(=O)CC=C 1P001AA7 [1,0,1,0,0,0|1,0,1]=4 1256 B5R0.1 CC(=O)CCBr 1P002W1I [1,0,1,0,0,0|1,0,0]=3 1257 B5R0.1 CC(=O)CCCl 1P0036JS [1,0,1,0,0,0|1,0,0]=3 1258 B5R0.1 CC(=O)CCI 1P028RF9 [1,0,1,0,0,0|1,0,0]=3 1259 B5R0.1 CC(=O)CCN 1P00I4LI [1,0,1,0,0,0|1,0,0]=3 1260 B5R0.1 CC(=O)CCO 1P0034IJ [1,0,1,0,0,0|0,1,0]=3 1261 B5R0.1 CC(=O)NCO 1P0037Q6 [1,0,1,0,0,0|1,1,0]=4 1262 B5R0.1 CC(=O)OCBr 1P003P1B [1,0,1,0,0,0|2,0,0]=4 1263 B5R0.1 CC(=O)OCCl 1P0037HI [1,0,1,0,0,0|2,0,0]=4 1264 B5R0.1 CC(=O)OCI 1P01BE17 [1,0,1,0,0,0|2,0,0]=4 1265 B5R0.1 CC(=O)SCBr 1P01BIB9 [1,0,1,0,0,0|1,0,1]=4 1266 B5R0.1 CC(=O)SCI 1P01EMD1 [1,0,1,0,0,0|1,0,1]=4 1267 B5R0.1 CC(CCN)S 1P01BU4X [1,0,1,0,0,0|1,0,1]=4 1268 B5R0.1 CC(CCO)S 1P019RAT [1,0,1,0,0,0|1,0,1]=4 1269 B5R0.1 CC(CCS)N 1P028S04 [1,0,1,0,0,0|1,0,1]=4 1270 B5R0.1 CC=CC(=O)C 1P0039SF [1,0,1,0,0,0|1,0,1]=4 1271 B5R0.1 CCCC(=C)C 1P003I23 [1,0,1,0,0,0|1,0,1]=4 1272 B5R0.1 CCCC(=O)C 1P0038PH [1,0,1,0,0,0|1,0,0]=3 1273 B5R0.1 CCCC(=O)N 1P003P36 [1,0,1,0,0,0|2,0,0]=4 1274 B5R0.1 CCCC(=O)O 1P0038GU [1,0,1,0,0,0|2,0,0]=4 1275 B5R0.1 CCCC(=O)[O-] 1P00EBJ7 [1,0,1,0,0,0|2,0,0]=4 1276 B5R0.1 CCCC(=O)[O-] 1P01XCJO [1,0,1,0,0,0|2,0,0]=4 1277 B5R0.1 CCCC(Br)C 1P003BNB [1,0,1,0,0,0|1,0,1]=4 1278 B5R0.1 CCCC(N)C 1P003H0I [1,0,1,0,0,0|1,0,1]=4 1279 B5R0.1 CCCC(N)C 1P019VIM [1,0,1,0,0,0|1,0,1]=4 1280 B5R0.1 CCCC(O)C 1P00F3M1 [1,0,1,0,0,0|0,1,1]=4 1281 B5R0.1 CCCC(S)C 1P002K5F [1,0,1,0,0,0|0,0,1]=3 1282 B5R0.1 CCC[C@@H](N)C 1P003AOE [1,0,1,0,0,0|1,0,1]=4 1283 B5R0.1 CCC[C@@H](O)C 1P002SLB [1,0,1,0,0,0|0,1,1]=4 1284 B5R0.1 CCC[C@H](N)C 1P01DUMC [1,0,1,0,0,0|1,0,1]=4 1285 B5R0.1 CCC[C@H](O)C 1P0032K0 [1,0,1,0,0,0|0,1,1]=4 1286 B5R0.1 CCNC(=O)C 1P003TGP [1,0,1,0,0,0|1,0,1]=4 1287 B5R0.1 CCNC(C)C 1P002CP2 [1,0,1,0,0,0|1,0,1]=4 1288 B5R0.1 CCOC(=O)C 1P001G6Z [1,0,1,0,0,0|0,1,1]=4 1289 B5R0.1 CCOC(C)C 1P003QW6 [1,0,1,0,0,0|0,1,1]=4 1290 B5R0.1 CCOC(Cl)C 1P00FMJI [1,0,1,0,0,0|1,1,0]=4 1291 B5R0.1 CCOP(=O)C 1P001V0C [1,0,1,0,0,0|1,1,0]=4 1292 B5R0.1 CCSC(C)C 1P003QW7 [1,0,1,0,0,0|0,0,1]=3 1293 B5R0.1 CNCC(=C)C 1P01BV54 [1,0,1,0,0,0|2,0,0]=4 1294 B5R0.1 CNCC(=O)N 1P0033CB [1,0,1,0,0,0|2,0,0]=4 1295 B5R0.1 CNCC(=O)O 1P003UNZ [1,0,1,0,0,0|2,0,0]=4 1296 B5R0.1 CNCC(=O)O 1P003UO1 [1,0,1,0,0,0|2,0,0]=4 1297 B5R0.1 CNNC(=O)C 1P0284CW [1,0,1,0,0,0|2,0,0]=4 1298 B5R0.1 CNOC(=O)C 1P003TW6 [1,0,1,0,0,0|2,0,0]=4 1299 B5R0.1 COCC(=C)C 1P00CC6P [1,0,1,0,0,0|1,1,0]=4 1300 B5R0.1 COCC(=O)C 1P0035LL [1,0,1,0,0,0|0,1,0]=3 1301 B5R0.1 COCC(=O)Cl 1P003RYU [1,0,1,0,0,0|1,1,0]=4 1302 B5R0.1 COCC(=O)N 1P001UIN [1,0,1,0,0,0|1,1,0]=4 1303 B5R0.1 COCC(=O)O 1P0035LK [1,0,1,0,0,0|1,1,0]=4 1304 B5R0.1 COCC(S)C 1P0289F0 [1,0,1,0,0,0|1,0,1]=4 1305 B5R0.1 CONC(=O)C 1P0037YO [1,0,1,0,0,0|1,1,0]=4 1306 B5R0.1 CS(=O)CCCl 1P01C4QD [1,0,1,0,0,0|2,0,0]=4 1307 B5R0.1 CS(=O)CCN 1P00DGD5 [1,0,1,0,0,0|2,0,0]=4 1308 B5R0.1 CSCC(=N)N 1P00VW0I [1,0,1,0,0,0|2,0,0]=4 1309 B5R0.1 CSCC(=O)C 1P001GCU [1,0,1,0,0,0|0,0,0]=2 1310 B5R0.1 CSCC(=O)Cl 1P007DQ1 [1,0,1,0,0,0|1,0,0]=3 1311 B5R0.1 CSCC(=O)N 1P0039C2 [1,0,1,0,0,0|1,0,0]=3 1312 B5R0.1 CSCC(=O)O 1P003CI8 [1,0,1,0,0,0|1,0,0]=3 1313 B5R0.1 CSCC(=S)N 1P001EKS [1,0,1,0,0,0|1,1,0]=4 1314 B5R0.1 CSCC(N)C 1P018SKQ [1,0,1,0,0,0|1,0,1]=4 1315 B5R0.1 CSCC(O)C 1P00FVJJ [1,0,1,0,0,0|0,0,2]=4 1316 B5R0.1 CSCS(=O)C 1P003SLK [1,0,1,0,0,0|1,0,0]=3 1317 B5R0.1 CSC[C@@H](N)C 1P024Q9Z [1,0,1,0,0,0|1,0,1]=4 1318 B5R0.1 CSC[C@H](N)C 1P028CDR [1,0,1,0,0,0|1,0,1]=4 1319 B5R0.1 C\C=C\C(=O)C 1P0032ET [1,0,1,0,0,0|1,0,1]=4 1320 B5R0.1 C\C=C\C(O)C 1P003KBH [1,0,1,0,0,0|0,1,1]=4 1321 B5R0.1 ClC(=O)CCBr 1P003JLT [1,0,1,0,0,0|2,0,0]=4 1322 B5R0.1 ClCSC(C)C 1P00ASCH [1,0,1,0,0,0|1,0,1]=4 1323 B5R0.1 FCCC(=O)Cl 1P006UO9 [1,0,1,0,0,0|2,0,0]=4 1324 B5R0.1 NC(=O)CCBr 1P003919 [1,0,1,0,0,0|2,0,0]=4 1325 B5R0.1 NC(=O)CCCl 1P003JS0 [1,0,1,0,0,0|2,0,0]=4 1326 B5R0.1 NC(=O)CCO 1P002TZD [1,0,1,0,0,0|1,1,0]=4 1327 B5R0.1 NC(=O)CCS 1P0038WG [1,0,1,0,0,0|1,0,0]=3 1328 B5R0.1 NCCC(=O)N 1P00E94U [1,0,1,0,0,0|2,0,0]=4 1329 B5R0.1 NCCC(=O)O 1P00369Y [1,0,1,0,0,0|2,0,0]=4 1330 B5R0.1 OC(=O)CCBr 1P003JLR [1,0,1,0,0,0|2,0,0]=4 1331 B5R0.1 OC(=O)CCCl 1P003JS1 [1,0,1,0,0,0|2,0,0]=4 1332 B5R0.1 OC(=O)CCF 1P00DG5V [1,0,1,0,0,0|2,0,0]=4 1333 B5R0.1 OC(=O)CCI 1P001G70 [1,0,1,0,0,0|2,0,0]=4 1334 B5R0.1 OC(=O)CCS 1P00347D [1,0,1,0,0,0|1,0,0]=3 1335 B5R0.1 OCCC(=C)C 1P008NDS [1,0,1,0,0,0|1,1,0]=4 1336 B5R0.1 OCCC(=O)O 1P00387S [1,0,1,0,0,0|1,1,0]=4 1337 B5R0.1 SCC=C(C)C 1P00DAZ6 [1,0,1,0,0,0|1,0,1]=4 1338 B5R0.1 SCCC(=O)O 1P007OUY [1,0,1,0,0,0|1,0,0]=3 1339 B5R0.1 SCCC(C)C 1P003K55 [1,0,1,0,0,0|1,0,1]=4 1340 B5R0.1 SCCN(C)C 1P00115M [1,0,1,0,0,0|2,0,0]=4 1341 B5R0.1 [O-]C(=O)CCC 1P001OVQ [1,0,1,0,0,0|2,0,0]=4 1342 B5R0.1 [O-]C(=O)CCN 1P001XGH [1,0,1,0,0,0|2,0,0]=4 1343 B5R0.1 [O-]C(=O)CCO 1P00EFHM [1,0,1,0,0,0|1,1,0]=4 1344 B5R0.1 [O-]C(=O)CNC 1P003UUQ [1,0,1,0,0,0|2,0,0]=4 1345 B5R0.2 BrCCCC=C 1P0034NV [1,0,1,0,0,0|2,0,0]=4 1346 B5R0.2 BrCCCC=O 1P01A6RF [1,0,1,0,0,0|1,0,0]=3 1347 B5R0.2 BrCCNCC 1P028CH9 [1,0,1,0,0,0|2,0,0]=4 1348 B5R0.2 BrCCOCC 1P00IAZI [1,0,1,0,0,0|1,1,0]=4 1349 B5R0.2 BrCCSCC 1P01A541 [1,0,1,0,0,0|1,0,0]=3 1350 B5R0.2 C=CCCC=O 1P002KZ4 [1,0,1,0,0,0|0,0,2]=4 1351 B5R0.2 CC=CCCBr 1P00DR1G [1,0,1,0,0,0|1,0,1]=4 1352 B5R0.2 CC=CCCN 1P01AIX4 [1,0,1,0,0,0|1,0,1]=4 1353 B5R0.2 CCC#CC=O 1P01IEPI [1,0,1,0,0,0|0,0,2]=4 1354 B5R0.2 CCC#CCS 1P028J7G [1,0,1,0,0,0|0,0,2]=4 1355 B5R0.2 CCC=CCN 1P01AV04 [1,0,1,0,0,0|1,0,1]=4 1356 B5R0.2 CCCCC#C 1P003EUT [1,0,1,0,0,0|1,0,1]=4 1357 B5R0.2 CCCCC#N 1P0039FZ [1,0,1,0,0,0|1,0,1]=4 1358 B5R0.2 CCCCC=O 1P003VQU [1,0,1,0,0,0|0,0,0]=2 1359 B5R0.2 CCCCCCl 1P003EPF [1,0,1,0,0,0|1,0,1]=4 1360 B5R0.2 CCCCCF 1P003ET1 [1,0,1,0,0,0|1,0,1]=4 1361 B5R0.2 CCCCCI 1P003EWK [1,0,1,0,0,0|1,0,1]=4 1362 B5R0.2 CCCCCN 1P003OCQ [1,0,1,0,0,0|1,0,1]=4 1363 B5R0.2 CCCCCN 1P01XEUV [1,0,1,0,0,0|1,0,1]=4 1364 B5R0.2 CCCCCS 1P003F1Y [1,0,1,0,0,0|0,0,1]=3 1365 B5R0.2 CCCCNC 1P003TNV [1,0,1,0,0,0|2,0,0]=4 1366 B5R0.2 CCCCNN 1P00CJP0 [1,0,1,0,0,0|2,0,0]=4 1367 B5R0.2 CCCCNO 1P01BKUP [1,0,1,0,0,0|1,0,1]=4 1368 B5R0.2 CCCCON 1P003TWH [1,0,1,0,0,0|2,0,0]=4 1369 B5R0.2 CCCCON 1P003TWI [1,0,1,0,0,0|2,0,0]=4 1370 B5R0.2 CCCC[Mg]Cl 1P00351G [1,0,1,0,0,0|2,0,0]=4 1371 B5R0.2 CCCOC=C 1P0035ZV [1,0,1,0,0,0|2,0,0]=4 1372 B5R0.2 CCCSSC 1P003SIY [1,0,1,0,0,0|1,0,1]=4 1373 B5R0.2 CCNCC=C 1P019XC1 [1,0,1,0,0,0|1,0,1]=4 1374 B5R0.2 CCNCCC 1P003THE [1,0,1,0,0,0|1,0,1]=4 1375 B5R0.2 CCSCC#C 1P008R0J [1,0,1,0,0,0|0,0,2]=4 1376 B5R0.2 CCSCC#N 1P01AIY1 [1,0,1,0,0,0|1,0,1]=4 1377 B5R0.2 CCSCC=O 1P01AC7G [1,0,1,0,0,0|0,0,0]=2 1378 B5R0.2 CCSCCC 1P003QWW [1,0,1,0,0,0|0,0,1]=3 1379 B5R0.2 CCSSCC 1P00356X [1,0,1,0,0,0|1,0,1]=4 1380 B5R0.2 CC\C=C/CBr 1P005NSO [1,0,1,0,0,0|1,0,1]=4 1381 B5R0.2 CC\C=C/CN 1P028U5O [1,0,1,0,0,0|1,0,1]=4 1382 B5R0.2 CC\C=C/CO 1P001Q0D [1,0,1,0,0,0|0,1,1]=4 1383 B5R0.2 CC\C=C\C=O 1P001Q0F [1,0,1,0,0,0|0,0,2]=4 1384 B5R0.2 CNCCC=C 1P01B1UO [1,0,1,0,0,0|2,0,0]=4 1385 B5R0.2 CNCCC=C 1P01DH0V [1,0,1,0,0,0|2,0,0]=4 1386 B5R0.2 CNCCSC 1P003TMW [1,0,1,0,0,0|2,0,0]=4 1387 B5R0.2 CNCCSC 1P00C2IC [1,0,1,0,0,0|2,0,0]=4 1388 B5R0.2 COCCC=C 1P01B6VT [1,0,1,0,0,0|1,1,0]=4 1389 B5R0.2 COCCC=O 1P007M22 [1,0,1,0,0,0|0,1,0]=3 1390 B5R0.2 COCCCS 1P01AA5Q [1,0,1,0,0,0|1,0,1]=4 1391 B5R0.2 COCCSC 1P01HW79 [1,0,1,0,0,0|2,0,0]=4 1392 B5R0.2 CSCCC#C 1P028WUI [1,0,1,0,0,0|1,0,1]=4 1393 B5R0.2 CSCCC#N 1P00DGHN [1,0,1,0,0,0|1,0,1]=4 1394 B5R0.2 CSCCC=O 1P003IQ1 [1,0,1,0,0,0|0,0,0]=2 1395 B5R0.2 CSCCCBr 1P01ALFA [1,0,1,0,0,0|1,0,1]=4 1396 B5R0.2 CSCCCCl 1P000UI5 [1,0,1,0,0,0|1,0,1]=4 1397 B5R0.2 CSCCCN 1P003IQ4 [1,0,1,0,0,0|1,0,1]=4 1398 B5R0.2 CSCCCN 1P01JMHA [1,0,1,0,0,0|1,0,1]=4 1399 B5R0.2 CSCCCO 1P00I9J4 [1,0,1,0,0,0|0,0,2]=4 1400 B5R0.2 CSCCCS 1P01C2PP [1,0,1,0,0,0|0,1,1]=4 1401 B5R0.2 CSCCON 1P01BHJA [1,0,1,0,0,0|2,0,0]=4 1402 B5R0.2 CSCN=C=O 1P028U9W [1,0,1,0,0,0|1,0,1]=4 1403 B5R0.2 CSSCC=C 1P003SFU [1,0,1,0,0,0|1,0,1]=4 1404 B5R0.2 CSSCCN 1P01BA2Z [1,0,1,0,0,0|2,0,0]=4 1405 B5R0.2 C\C=C\CCBr 1P005EJH [1,0,1,0,0,0|1,0,1]=4 1406 B5R0.2 C\C=C\CCO 1P008QP2 [1,0,1,0,0,0|0,1,1]=4 1407 B5R0.2 ClCCCC=C 1P00GTCI [1,0,1,0,0,0|2,0,0]=4 1408 B5R0.2 ClCCCC=O 1P00EH8M [1,0,1,0,0,0|1,0,0]=3 1409 B5R0.2 ClCCNCC 1P01C5GK [1,0,1,0,0,0|2,0,0]=4 1410 B5R0.2 ClCCOCC 1P0033PX [1,0,1,0,0,0|1,1,0]=4 1411 B5R0.2 ClCCSCC 1P003HIZ [1,0,1,0,0,0|1,0,0]=3 1412 B5R0.2 ClCSCC=C 1P028M92 [1,0,1,0,0,0|1,0,1]=4 1413 B5R0.2 FCCNCC 1P00GMCK [1,0,1,0,0,0|2,0,0]=4 1414 B5R0.2 ICCCC=C 1P005H24 [1,0,1,0,0,0|2,0,0]=4 1415 B5R0.2 ICCOCC 1P01BFOP [1,0,1,0,0,0|1,1,0]=4 1416 B5R0.2 NCCCC=C 1P002UI5 [1,0,1,0,0,0|2,0,0]=4 1417 B5R0.2 NCCCC=C 1P00BFBD [1,0,1,0,0,0|2,0,0]=4 1418 B5R0.2 NCCCCS 1P002LKU [1,0,1,0,0,0|1,0,1]=4 1419 B5R0.2 NCCNCC 1P003TGX [1,0,1,0,0,0|2,0,0]=4 1420 B5R0.2 NCCOCC 1P0033R7 [1,0,1,0,0,0|1,1,0]=4 1421 B5R0.2 NCCSCC 1P003FIX [1,0,1,0,0,0|1,0,0]=3 1422 B5R0.2 NCCSCC 1P003FIY [1,0,1,0,0,0|1,0,0]=3 1423 B5R0.2 O=CCCC#C 1P01DL12 [1,0,1,0,0,0|0,0,2]=4 1424 B5R0.2 O=CCCC=O 1P01DOB9 [1,0,1,0,0,0|1,0,1]=4 1425 B5R0.2 OCCCC=C 1P004WX4 [1,0,1,0,0,0|2,0,0]=4 1426 B5R0.2 OCCCC=O 1P00BGD0 [1,0,1,0,0,0|1,0,0]=3 1427 B5R0.2 OCCCCS 1P001MEH [1,0,1,0,0,0|1,0,1]=4 1428 B5R0.2 OCCNCC 1P0033C9 [1,0,1,0,0,0|1,0,1]=4 1429 B5R0.2 OCCNCC 1P01AHV6 [1,0,1,0,0,0|1,0,1]=4 1430 B5R0.2 OCCOC=O 1P00EL36 [1,0,1,0,0,0|2,0,0]=4 1431 B5R0.2 OCCOCC 1P0032R3 [1,0,1,0,0,0|0,1,1]=4 1432 B5R0.2 OCCSCC 1P003QKZ [1,0,1,0,0,0|0,0,1]=3 1433 B5R0.2 SCCCCS 1P000INJ [1,0,1,0,0,0|1,0,1]=4 1434 B5R0.2 SCCNCC 1P028BVX [1,0,1,0,0,0|1,0,0]=3 1435 B5R0.2 SCCOCC 1P001ZJN [1,0,1,0,0,0|1,0,0]=3 1436 B5R0.2 SCCSCC 1P007L7A [1,0,1,0,0,0|0,1,0]=3 1437 B5R0.2 [C-]#[N+]CCCC 1P002UXG [1,0,1,0,0,0|2,0,0]=4 1438 B5R0.3 BrCC(=O)CBr 1P00521Z [1,0,1,0,0,0|2,0,0]=4 1439 B5R0.3 BrC[C@@H](CC)C 1P01FWR0 [1,0,1,0,0,0|1,0,1]=4 1440 B5R0.3 CC(C#N)CC 1P003I5O [1,0,1,0,0,0|1,0,1]=4 1441 B5R0.3 CC(C#N)SC 1P028QKB [1,0,1,0,0,0|1,0,1]=4 1442 B5R0.3 CC(C=C)CBr 1P00CN82 [1,0,1,0,0,0|2,0,0]=4 1443 B5R0.3 CC(C=C)CN 1P028SHC [1,0,1,0,0,0|2,0,0]=4 1444 B5R0.3 CC(C=C)CO 1P003I34 [1,0,1,0,0,0|2,0,0]=4 1445 B5R0.3 CC(C=C)NC 1P01AGSD [1,0,1,0,0,0|1,0,1]=4 1446 B5R0.3 CC(C=O)OC 1P00F3OH [1,0,1,0,0,0|0,1,0]=3 1447 B5R0.3 CC(ON)CC 1P01A559 [1,0,1,0,0,0|2,0,0]=4 1448 B5R0.3 CC(SC)CO 1P002A2F [1,0,1,0,0,0|0,0,2]=4 1449 B5R0.3 CCC(=C)C=O 1P0033RD [1,0,1,0,0,0|0,0,2]=4 1450 B5R0.3 CCC(=C)CBr 1P00ERJN [1,0,1,0,0,0|2,0,0]=4 1451 B5R0.3 CCC(=C)CC 1P003HND [1,0,1,0,0,0|1,0,0]=3 1452 B5R0.3 CCC(=C)CN 1P00J3CC [1,0,1,0,0,0|2,0,0]=4 1453 B5R0.3 CCC(=C)CO 1P019TC3 [1,0,1,0,0,0|1,1,0]=4 1454 B5R0.3 CCC(=N)NC 1P0281D2 [1,0,1,0,0,0|2,0,0]=4 1455 B5R0.3 CCC(=O)C#C 1P001VIE [1,0,1,0,0,0|0,0,2]=4 1456 B5R0.3 CCC(=O)C=C 1P001TZW [1,0,1,0,0,0|0,0,2]=4 1457 B5R0.3 CCC(=O)CC 1P003KBG [1,0,1,0,0,0|0,0,0]=2 1458 B5R0.3 CCC(=O)CCl 1P00E9KQ [1,0,1,0,0,0|1,0,0]=3 1459 B5R0.3 CCC(=O)CN 1P007UM4 [1,0,1,0,0,0|1,0,0]=3 1460 B5R0.3 CCC(=O)CO 1P00DBTG [1,0,1,0,0,0|0,1,0]=3 1461 B5R0.3 CCC(=O)NC 1P003TP5 [1,0,1,0,0,0|1,0,0]=3 1462 B5R0.3 CCC(=O)NN 1P0035ZK [1,0,1,0,0,0|2,0,0]=4 1463 B5R0.3 CCC(=O)NO 1P00BVXV [1,0,1,0,0,0|1,1,0]=4 1464 B5R0.3 CCC(=O)OC 1P0035PP [1,0,1,0,0,0|1,0,0]=3 1465 B5R0.3 CCC(=S)OC 1P002TUB [1,0,1,0,0,0|1,1,0]=4 1466 B5R0.3 CCC(CBr)C 1P0032OY [1,0,1,0,0,0|1,0,1]=4 1467 B5R0.3 CCC(CC)Br 1P0022X3 [1,0,1,0,0,0|1,0,1]=4 1468 B5R0.3 CCC(CC)I 1P0022X4 [1,0,1,0,0,0|1,0,1]=4 1469 B5R0.3 CCC(CC)N 1P003JEI [1,0,1,0,0,0|1,0,1]=4 1470 B5R0.3 CCC(CC)O 1P003KBF [1,0,1,0,0,0|0,0,2]=4 1471 B5R0.3 CCC(CC)S 1P00F3I5 [1,0,1,0,0,0|0,1,1]=4 1472 B5R0.3 CCC(CCl)C 1P00EBG7 [1,0,1,0,0,0|1,0,1]=4 1473 B5R0.3 CCC(CI)C 1P00E9YB [1,0,1,0,0,0|1,0,1]=4 1474 B5R0.3 CCC(CN)C 1P00IK6S [1,0,1,0,0,0|1,0,1]=4 1475 B5R0.3 CCC(CN)C 1P01C477 [1,0,1,0,0,0|1,0,1]=4 1476 B5R0.3 CCC(CO)C 1P001351 [1,0,1,0,0,0|0,0,2]=4 1477 B5R0.3 CCC(CS)C 1P002GYX [1,0,1,0,0,0|0,1,1]=4 1478 B5R0.3 CCC(CS)N 1P01A3ND [1,0,1,0,0,0|1,0,1]=4 1479 B5R0.3 CCC(CS)O 1P01BIJJ [1,0,1,0,0,0|0,0,2]=4 1480 B5R0.3 CCC(CS)S 1P001SRO [1,0,1,0,0,0|0,1,1]=4 1481 B5R0.3 CCC(NC)C 1P003FJM [1,0,1,0,0,0|1,0,1]=4 1482 B5R0.3 CCC(NC)C 1P005R74 [1,0,1,0,0,0|1,0,1]=4 1483 B5R0.3 CCC(NN)C 1P009A22 [1,0,1,0,0,0|2,0,0]=4 1484 B5R0.3 CCC(OC)C 1P003UOY [1,0,1,0,0,0|0,1,1]=4 1485 B5R0.3 CCN(CC)C 1P00E9VL [1,0,1,0,0,0|2,0,0]=4 1486 B5R0.3 CCN(CC)O 1P0035RT [1,0,1,0,0,0|1,0,1]=4 1487 B5R0.3 CCP(=O)CC 1P00357C [1,0,1,0,0,0|1,0,0]=3 1488 B5R0.3 CCS(=O)CC 1P006ANF [1,0,1,0,0,0|1,0,0]=3 1489 B5R0.3 CC[C@@H](CI)C 1P002YPR [1,0,1,0,0,0|1,0,1]=4 1490 B5R0.3 CC[C@@H](CN)C 1P002IUT [1,0,1,0,0,0|1,0,1]=4 1491 B5R0.3 CC[C@@H](CN)C 1P0201XK [1,0,1,0,0,0|1,0,1]=4 1492 B5R0.3 CC[C@@H](CO)C 1P001P8L [1,0,1,0,0,0|0,0,2]=4 1493 B5R0.3 CC[C@@H](CS)N 1P028FQI [1,0,1,0,0,0|1,0,1]=4 1494 B5R0.3 CC[C@@H](NC)C 1P02859U [1,0,1,0,0,0|1,0,1]=4 1495 B5R0.3 CC[C@H](CO)C 1P00EBJG [1,0,1,0,0,0|0,0,2]=4 1496 B5R0.3 CC[C@H](CS)N 1P028YXX [1,0,1,0,0,0|1,0,1]=4 1497 B5R0.3 CC[C@H](NC)C 1P01R96I [1,0,1,0,0,0|1,0,1]=4 1498 B5R0.3 CC[SiH](CC)C 1P0058VP [1,0,1,0,0,0|1,1,0]=4 1499 B5R0.3 CC\C(=C\C)\Br 1P028YNB [1,0,1,0,0,0|1,0,1]=4 1500 B5R0.3 CN(C=O)CC 1P002XCI [1,0,1,0,0,0|1,0,0]=3 1501 B5R0.3 CN(C=O)OC 1P00CLC1 [1,0,1,0,0,0|1,1,0]=4 1502 B5R0.3 CNC(=O)CBr 1P007DCA [1,0,1,0,0,0|2,0,0]=4 1503 B5R0.3 CNC(=O)CCl 1P0033Q7 [1,0,1,0,0,0|2,0,0]=4 1504 B5R0.3 CNC(=O)CI 1P028JQB [1,0,1,0,0,0|2,0,0]=4 1505 B5R0.3 CNC(=O)CN 1P0037VQ [1,0,1,0,0,0|2,0,0]=4 1506 B5R0.3 CNC(=O)CN 1P0039JP [1,0,1,0,0,0|2,0,0]=4 1507 B5R0.3 CNC(=O)CO 1P00DD9R [1,0,1,0,0,0|1,1,0]=4 1508 B5R0.3 CNC(=O)CS 1P002KO6 [1,0,1,0,0,0|1,0,0]=3 1509 B5R0.3 CNC(=O)OC 1P00FAMH [1,0,1,0,0,0|2,0,0]=4 1510 B5R0.3 COC(=O)CBr 1P0035PA [1,0,1,0,0,0|2,0,0]=4 1511 B5R0.3 COC(=O)CI 1P00VVO6 [1,0,1,0,0,0|2,0,0]=4 1512 B5R0.3 COC(=O)CN 1P0035FQ [1,0,1,0,0,0|2,0,0]=4 1513 B5R0.3 COC(=O)CO 1P0035PJ [1,0,1,0,0,0|1,1,0]=4 1514 B5R0.3 COC(=O)CS 1P002OI0 [1,0,1,0,0,0|1,0,0]=3 1515 B5R0.3 COC(=O)OC 1P00357R [1,0,1,0,0,0|2,0,0]=4 1516 B5R0.3 COC(OC)C 1P003DPC [1,0,1,0,0,0|1,1,0]=4 1517 B5R0.3 CSC(=O)CCl 1P028VR9 [1,0,1,0,0,0|2,0,0]=4 1518 B5R0.3 CSC(=O)SC 1P003UMZ [1,0,1,0,0,0|2,0,0]=4 1519 B5R0.3 C\C=C(\C=O)/C 1P00366D [1,0,1,0,0,0|0,0,2]=4 1520 B5R0.3 ClCC(=O)CCl 1P00DTUY [1,0,1,0,0,0|2,0,0]=4 1521 B5R0.3 NCC(=O)CCl 1P027VFF [1,0,1,0,0,0|2,0,0]=4 1522 B5R0.3 NCC(=O)CN 1P00EE76 [1,0,1,0,0,0|2,0,0]=4 1523 B5R0.3 NNC(=O)CS 1P008P7E [1,0,1,0,0,0|2,0,0]=4 1524 B5R0.3 OCC(=O)CO 1P00332C [1,0,1,0,0,0|1,1,0]=4 1525 B5R0.3 OCC(C=O)O 1P00BEK0 [1,0,1,0,0,0|2,0,0]=4 1526 B5R0.3 O[C@@H](C=O)CO 1P003POB [1,0,1,0,0,0|2,0,0]=4 1527 B5R0.3 O[C@H](C=O)CO 1P00DEET [1,0,1,0,0,0|2,0,0]=4 1528 B5R0.3 [C-]#[N+]C(CC)C 1P00HWCJ [1,0,1,0,0,0|2,0,0]=4 1529 B5R0.5 BrC(=O)C(Br)C 1P003H9L [1,0,1,0,0,0|2,0,0]=4 1530 B5R0.5 BrC(C(=O)C)Br 1P008FOH [1,0,1,0,0,0|2,0,0]=4 1531 B5R0.5 CC(=C(C)C)Br 1P003H3O [1,0,1,0,0,0|1,0,1]=4 1532 B5R0.5 CC(=C(C)C)C 1P003656 [1,0,1,0,0,0|1,0,1]=4 1533 B5R0.5 CC(=C)C(C)C 1P003G0F [1,0,1,0,0,0|1,0,0]=3 1534 B5R0.5 CC(=C)C(O)C 1P007H42 [1,0,1,0,0,0|1,1,0]=4 1535 B5R0.5 CC(=N)N(C)C 1P01A0N1 [1,0,1,0,0,0|2,0,0]=4 1536 B5R0.5 CC(=O)C(=C)C 1P003K68 [1,0,1,0,0,0|0,0,2]=4 1537 B5R0.5 CC(=O)C(Br)C 1P003JKY [1,0,1,0,0,0|1,0,0]=3 1538 B5R0.5 CC(=O)C(C)C 1P0037OJ [1,0,1,0,0,0|0,0,0]=2 1539 B5R0.5 CC(=O)C(Cl)C 1P003ECT [1,0,1,0,0,0|1,0,0]=3 1540 B5R0.5 CC(=O)C(O)C 1P00DMTO [1,0,1,0,0,0|0,1,0]=3 1541 B5R0.5 CC(=O)C(S)C 1P00BXSU [1,0,1,0,0,0|0,0,0]=2 1542 B5R0.5 CC(=O)N(C)C 1P000WZ3 [1,0,1,0,0,0|1,0,0]=3 1543 B5R0.5 CC(=O)N(N)C 1P01B894 [1,0,1,0,0,0|2,0,0]=4 1544 B5R0.5 CC(=O)N(O)C 1P000W3Q [1,0,1,0,0,0|1,1,0]=4 1545 B5R0.5 CC(=O)[C@@H](N)C 1P00IA8G [1,0,1,0,0,0|1,0,0]=3 1546 B5R0.5 CC(=O)[NH+](C)C 1P003OS1 [1,0,1,0,0,0|1,0,0]=3 1547 B5R0.5 CC(=S)N(C)C 1P003T2C [1,0,1,0,0,0|1,1,0]=4 1548 B5R0.5 CC(C(=N)N)C 1P00BDNQ [1,0,1,0,0,0|2,0,0]=4 1549 B5R0.5 CC(C(=O)Br)C 1P003RK5 [1,0,1,0,0,0|1,0,0]=3 1550 B5R0.5 CC(C(=O)Cl)Br 1P003BND [1,0,1,0,0,0|2,0,0]=4 1551 B5R0.5 CC(C(=O)Cl)C 1P003RK6 [1,0,1,0,0,0|1,0,0]=3 1552 B5R0.5 CC(C(=O)N)Br 1P003H9I [1,0,1,0,0,0|2,0,0]=4 1553 B5R0.5 CC(C(=O)N)C 1P003RJZ [1,0,1,0,0,0|1,0,0]=3 1554 B5R0.5 CC(C(=O)N)Cl 1P002V9S [1,0,1,0,0,0|2,0,0]=4 1555 B5R0.5 CC(C(=O)N)I 1P002G87 [1,0,1,0,0,0|2,0,0]=4 1556 B5R0.5 CC(C(=O)N)O 1P0029VL [1,0,1,0,0,0|1,1,0]=4 1557 B5R0.5 CC(C(=O)O)Br 1P003H9J [1,0,1,0,0,0|2,0,0]=4 1558 B5R0.5 CC(C(=O)O)C 1P003729 [1,0,1,0,0,0|1,0,0]=3 1559 B5R0.5 CC(C(=O)O)C 1P01D9JB [1,0,1,0,0,0|1,0,0]=3 1560 B5R0.5 CC(C(=O)O)F 1P0032QG [1,0,1,0,0,0|2,0,0]=4 1561 B5R0.5 CC(C(=O)O)N 1P01ELSY [1,0,1,0,0,0|2,0,0]=4 1562 B5R0.5 CC(C(=O)S)C 1P00E3N5 [1,0,1,0,0,0|1,0,0]=3 1563 B5R0.5 CC(C(=O)[O-])C 1P002R83 [1,0,1,0,0,0|1,0,0]=3 1564 B5R0.5 CC(C(=O)[O-])C 1P003RK3 [1,0,1,0,0,0|1,0,0]=3 1565 B5R0.5 CC(C(=O)[O-])O 1P001SCZ [1,0,1,0,0,0|1,1,0]=4 1566 B5R0.5 CC(C(=O)[O-])O 1P002IGC [1,0,1,0,0,0|1,1,0]=4 1567 B5R0.5 CC(C(=O)[O-])O 1P002IGD [1,0,1,0,0,0|1,1,0]=4 1568 B5R0.5 CC(C(=O)[O-])O 1P003P4S [1,0,1,0,0,0|1,1,0]=4 1569 B5R0.5 CC(C(=O)[O-])O 1P00IAYP [1,0,1,0,0,0|1,1,0]=4 1570 B5R0.5 CC(C(=O)[O-])O 1P01KKX9 [1,0,1,0,0,0|1,1,0]=4 1571 B5R0.5 CC(C(=S)N)C 1P0033V4 [1,0,1,0,0,0|1,1,0]=4 1572 B5R0.5 CC(C(C)C)Br 1P0024QT [1,0,1,0,0,0|1,0,1]=4 1573 B5R0.5 CC(C(C)C)Cl 1P00ERNM [1,0,1,0,0,0|1,0,1]=4 1574 B5R0.5 CC(C(C)C)I 1P0024QS [1,0,1,0,0,0|1,0,1]=4 1575 B5R0.5 CC(C(C)C)N 1P003DVC [1,0,1,0,0,0|1,0,1]=4 1576 B5R0.5 CC(C(C)C)O 1P00E9KB [1,0,1,0,0,0|0,0,2]=4 1577 B5R0.5 CC(C(C)C)S 1P002K5G [1,0,1,0,0,0|0,1,1]=4 1578 B5R0.5 CC(C(O)C)S 1P003K2Y [1,0,1,0,0,0|0,0,2]=4 1579 B5R0.5 CC(C(S)C)S 1P003G00 [1,0,1,0,0,0|0,1,1]=4 1580 B5R0.5 CC(N(=O)=O)C 1P003I9T [1,0,1,0,0,0|2,0,0]=4 1581 B5R0.5 CC(S(=O)Cl)C 1P00CMZT [1,0,1,0,0,0|2,0,0]=4 1582 B5R0.5 CC(S(=O)N)C 1P01BFW0 [1,0,1,0,0,0|2,0,0]=4 1583 B5R0.5 CC(S(=O)[O-])C 1P00C6Z1 [1,0,1,0,0,0|2,0,0]=4 1584 B5R0.5 CN(C(=O)Cl)C 1P003Q3S [1,0,1,0,0,0|2,0,0]=4 1585 B5R0.5 CN(C(=O)N)C 1P0032OO [1,0,1,0,0,0|2,0,0]=4 1586 B5R0.5 CN(C(=O)O)C 1P003Q0Z [1,0,1,0,0,0|2,0,0]=4 1587 B5R0.5 CN(C(C)C)C 1P003T1Y [1,0,1,0,0,0|2,0,0]=4 1588 B5R0.5 CP(=O)C(C)C 1P02886T [1,0,1,0,0,0|1,0,0]=3 1589 B5R0.5 C[C@@H](C(=O)N)O 1P003CUT [1,0,1,0,0,0|1,1,0]=4 1590 B5R0.5 C[C@@H](C(=O)O)Br 1P003CU9 [1,0,1,0,0,0|2,0,0]=4 1591 B5R0.5 C[C@@H](C(=O)O)Cl 1P002ZDF [1,0,1,0,0,0|2,0,0]=4 1592 B5R0.5 C[C@@H](C(=O)O)F 1P00F1Z5 [1,0,1,0,0,0|2,0,0]=4 1593 B5R0.5 C[C@@H](C(=O)O)N 1P003RNW [1,0,1,0,0,0|2,0,0]=4 1594 B5R0.5 C[C@@H](C(=O)O)N 1P00E9HQ [1,0,1,0,0,0|2,0,0]=4 1595 B5R0.5 C[C@@H](C(C)C)N 1P00J87H [1,0,1,0,0,0|1,0,1]=4 1596 B5R0.5 C[C@@H](C(C)C)O 1P003CXX [1,0,1,0,0,0|0,0,2]=4 1597 B5R0.5 C[C@H](C(=O)N)O 1P003CML [1,0,1,0,0,0|1,1,0]=4 1598 B5R0.5 C[C@H](C(=O)O)Br 1P0001CR [1,0,1,0,0,0|2,0,0]=4 1599 B5R0.5 C[C@H](C(=O)O)Cl 1P003BFE [1,0,1,0,0,0|2,0,0]=4 1600 B5R0.5 C[C@H](C(=O)O)N 1P003559 [1,0,1,0,0,0|2,0,0]=4 1601 B5R0.5 C[C@H](C(=O)O)S 1P007HM9 [1,0,1,0,0,0|1,0,0]=3 1602 B5R0.5 C[C@H](C(C)C)N 1P01DH3B [1,0,1,0,0,0|1,0,1]=4 1603 B5R0.5 C[C@H](C(C)C)O 1P001PQR [1,0,1,0,0,0|0,0,2]=4 1604 B5R0.5 ClC(=O)C(Cl)C 1P003BO8 [1,0,1,0,0,0|2,0,0]=4 1605 B5R0.5 ClC(=O)[C@@H](Cl)C 1P01BY6S [1,0,1,0,0,0|2,0,0]=4 1606 B5R0.5 ClC(=O)[C@H](Cl)C 1P006CQL [1,0,1,0,0,0|2,0,0]=4 1607 B5R0.5 FC(C(=O)C)F 1P00396G [1,0,1,0,0,0|2,0,0]=4 1608 B5R0.5 NC(=O)C(N)C 1P003H0J [1,0,1,0,0,0|2,0,0]=4 1609 B5R0.5 NC(=O)C(N)C 1P003H0K [1,0,1,0,0,0|2,0,0]=4 1610 B5R0.5 NC(=O)[C@@H](N)C 1P0006VF [1,0,1,0,0,0|2,0,0]=4 1611 B5R0.5 NC(=O)[C@@H](N)C 1P0036JB [1,0,1,0,0,0|2,0,0]=4 1612 B5R0.5 NC(=O)[C@@H](N)C 1P00ICUD [1,0,1,0,0,0|2,0,0]=4 1613 B5R0.5 NC(=O)[C@H](N)C 1P00382K [1,0,1,0,0,0|2,0,0]=4 1614 B5R0.5 NC(=O)[C@H](N)C 1P003C4R [1,0,1,0,0,0|2,0,0]=4 1615 B5R0.5 OC(=O)C(O)C 1P00388A [1,0,1,0,0,0|1,1,0]=4 1616 B5R0.5 OC(=O)C(O)C 1P003P5C [1,0,1,0,0,0|1,1,0]=4 1617 B5R0.5 OC(=O)[C@@H](O)C 1P003AT9 [1,0,1,0,0,0|1,1,0]=4 1618 B5R0.5 OC(=O)[C@H](O)C 1P003PO7 [1,0,1,0,0,0|1,1,0]=4 1619 B5R0.5 [O-]C(=O)C(O)C 1P005SQF [1,0,1,0,0,0|1,1,0]=4 1620 B5R0.5 [O-]C(=O)C(O)C 1P0069SJ [1,0,1,0,0,0|1,1,0]=4 1621 B5R0.5 [O-]C(=O)C(O)C 1P008FOG [1,0,1,0,0,0|1,1,0]=4 1622 B5R0.5 [O-]C(=O)[C@@H](O)C 1P002VDW [1,0,1,0,0,0|1,1,0]=4 1623 B5R0.5 [O-]C(=O)[C@@H](O)C 1P004KNK [1,0,1,0,0,0|1,1,0]=4 1624 B5R0.5 [O-]C(=O)[C@@H](O)C 1P00IM0T [1,0,1,0,0,0|1,1,0]=4 1625 B5R0.5 [O-]C(=O)[C@H](F)C 1P02809N [1,0,1,0,0,0|2,0,0]=4 1626 B5R0.5 [O-]C(=O)[C@H](O)C 1P002VDV [1,0,1,0,0,0|1,1,0]=4 1627 B5R0.5 [O-]C(=O)[C@H](O)C 1P003USZ [1,0,1,0,0,0|1,1,0]=4 1628 B5R1.1 C1CC=CC1 1P003PN5 [2,0,0,0,0,0|1,0,1]=4 1629 B5R1.1 C1CCCN1 1P002R3M [2,0,0,0,0,0|1,0,1]=4 1630 B5R1.1 C1CCCN1 1P00IN0G [2,0,0,0,0,0|1,0,1]=4 1631 B5R1.1 C1CCCN1 1P00IN0H [2,0,0,0,0,0|1,0,1]=4 1632 B5R1.1 C1CCCO1 1P0005PN [2,0,0,0,0,0|0,1,1]=4 1633 B5R1.1 C1CCCO1 1P0032EK [2,0,0,0,0,0|0,1,1]=4 1634 B5R1.1 C1CCCO1 1P00364V [2,0,0,0,0,0|0,1,1]=4 1635 B5R1.1 C1CCCO1 1P003V3W [2,0,0,0,0,0|0,1,1]=4 1636 B5R1.1 C1CCCO1 1P003V3X [2,0,0,0,0,0|0,1,1]=4 1637 B5R1.1 C1CCCO1 1P00AOW1 [2,0,0,0,0,0|0,1,1]=4 1638 B5R1.1 C1CCCO1 1P00I0J7 [2,0,0,0,0,0|0,1,1]=4 1639 B5R1.1 C1CCCP1 1P007DMB [2,0,0,0,0,0|1,0,1]=4 1640 B5R1.1 C1CCCS1 1P007EKR [2,0,0,0,0,0|0,0,1]=3 1641 B5R1.1 C1NCCN1 1P00DE8L [2,0,0,0,0,0|2,0,0]=4 1642 B5R1.1 C1NCCO1 1P00DJX9 [2,0,0,0,0,0|1,1,0]=4 1643 B5R1.1 C1NCCS1 1P001K1F [2,0,0,0,0,0|1,0,0]=3 1644 B5R1.1 C1NCCS1 1P00365E [2,0,0,0,0,0|1,0,0]=3 1645 B5R1.1 C1OCCS1 1P002KOW [2,0,0,0,0,0|1,0,0]=3 1646 B5R1.1 N1CC=CC1 1P00348W [2,0,0,0,0,0|1,0,1]=4 1647 B5R1.1 N1CC=CC1 1P003GF8 [2,0,0,0,0,0|1,0,1]=4 1648 B5R1.1 S1CC=CC1 1P00B09R [2,0,0,0,0,0|0,0,1]=3 1649 B7R0.2 CC(CC(=O)CN)Cl 1P01BI4J [0,1,1,0,0,0|2,0,0]=4 1650 B7R0.2 CCC(=O)CC(=O)C 1P00BDMU [0,1,1,0,0,0|0,1,1]=4 1651 B7R0.2 CCC(=O)CC(C)C 1P003NCQ [0,1,1,0,0,0|1,0,0]=3 1652 B7R0.2 CNC(=O)CC(N)C 1P01C1RO [0,1,1,0,0,0|2,0,0]=4 1653 B7R0.2 CNC(=O)C[C@H](O)C 1P027V34 [0,1,1,0,0,0|1,1,0]=4 1654 B7R0.2 COC(=O)CC(Br)C 1P007P3N [0,1,1,0,0,0|2,0,0]=4 1655 B7R0.2 COC(=O)CC(C)C 1P0035PM [0,1,1,0,0,0|2,0,0]=4 1656 B7R0.2 COC(=O)CC(F)C 1P028RKB [0,1,1,0,0,0|2,0,0]=4 1657 B7R0.2 COC(=O)CC(N)C 1P009Z7X [0,1,1,0,0,0|2,0,0]=4 1658 B7R0.2 COC(=O)CC(O)C 1P001LLF [0,1,1,0,0,0|1,1,0]=4 1659 B7R0.2 COC(=O)CC(S)C 1P00DGF5 [0,1,1,0,0,0|1,0,0]=3 1660 B7R0.2 COC(=O)C[C@@H](N)C 1P001B0R [0,1,1,0,0,0|2,0,0]=4 1661 B7R0.2 COC(=O)C[C@@H](O)C 1P003D49 [0,1,1,0,0,0|1,1,0]=4 1662 B7R0.2 COC(=O)C[C@H](F)C 1P01G18M [0,1,1,0,0,0|2,0,0]=4 1663 B7R0.2 COC(=O)C[C@H](N)C 1P001B0S [0,1,1,0,0,0|2,0,0]=4 1664 B7R0.2 COC(=O)C[C@H](N)C 1P008Y0A [0,1,1,0,0,0|2,0,0]=4 1665 B7R0.2 COC(=O)C[C@H](O)C 1P003RZI [0,1,1,0,0,0|1,1,0]=4 1666 B7R0.2 ClCC(=O)CC(C)C 1P00CLO7 [0,1,1,0,0,0|2,0,0]=4 1667 B7R0.2 NCC(=O)CC(C)C 1P007R1H [0,1,1,0,0,0|2,0,0]=4 1668 B7R0.2 O=CC(CC(C)C)C 1P007MEQ [0,1,1,0,0,0|1,0,0]=3 1669 B7R0.3 BrCC(=O)CCC=C 1P001E19 [0,1,1,0,0,0|2,0,0]=4 1670 B7R0.3 BrCCCC(=O)CBr 1P01C40P [0,1,1,0,0,0|2,0,0]=4 1671 B7R0.3 BrCCCC(=O)CC 1P0029WY [0,1,1,0,0,0|1,0,0]=3 1672 B7R0.3 C=CCCC(C=O)C 1P01DW2X [0,1,1,0,0,0|1,0,1]=4 1673 B7R0.3 CC(C=O)CCC#N 1P01BESM [0,1,1,0,0,0|1,0,1]=4 1674 B7R0.3 CC(C=O)CCCC 1P006HJQ [0,1,1,0,0,0|1,0,0]=3 1675 B7R0.3 CCC(=O)CCC=C 1P01A9QQ [0,1,1,0,0,0|1,0,0]=3 1676 B7R0.3 CCC(=O)NCC#C 1P01A44S [0,1,1,0,0,0|1,0,1]=4 1677 B7R0.3 CCCCC(=C)CC 1P001UBV [0,1,1,0,0,0|2,0,0]=4 1678 B7R0.3 CCCCC(=O)CBr 1P021RD0 [0,1,1,0,0,0|2,0,0]=4 1679 B7R0.3 CCCCC(=O)CC 1P003JZ2 [0,1,1,0,0,0|1,0,0]=3 1680 B7R0.3 CCCCC(=O)CCl 1P0028ST [0,1,1,0,0,0|2,0,0]=4 1681 B7R0.3 CCCCC(=O)CN 1P01HITA [0,1,1,0,0,0|2,0,0]=4 1682 B7R0.3 CCCCC(=O)OC 1P003SJO [0,1,1,0,0,0|2,0,0]=4 1683 B7R0.3 CCCNC(=O)CBr 1P01ANPB [0,1,1,0,0,0|2,0,0]=4 1684 B7R0.3 CCCNC(=O)CC 1P00CZT8 [0,1,1,0,0,0|1,0,0]=3 1685 B7R0.3 CCCNC(=O)CCl 1P001AW7 [0,1,1,0,0,0|2,0,0]=4 1686 B7R0.3 CCCNC(=O)CN 1P00ED4J [0,1,1,0,0,0|2,0,0]=4 1687 B7R0.3 CCCOC(=O)CC 1P0035ZU [0,1,1,0,0,0|1,0,0]=3 1688 B7R0.3 CCCOC(=O)OC 1P00E956 [0,1,1,0,0,0|2,0,0]=4 1689 B7R0.3 CCNCC(=O)NC 1P019NG5 [0,1,1,0,0,0|2,0,0]=4 1690 B7R0.3 CCNCC(=O)NC 1P01EBZ2 [0,1,1,0,0,0|2,0,0]=4 1691 B7R0.3 CCNCC(=O)OC 1P00HCTF [0,1,1,0,0,0|2,0,0]=4 1692 B7R0.3 CCOCC(=O)CCl 1P00FH3Q [0,1,1,0,0,0|2,0,0]=4 1693 B7R0.3 CCOCC(=O)OC 1P002545 [0,1,1,0,0,0|2,0,0]=4 1694 B7R0.3 CCSCC(=O)OC 1P002AX7 [0,1,1,0,0,0|2,0,0]=4 1695 B7R0.3 CCSCC(NC)C 1P019THP [0,1,1,0,0,0|2,0,0]=4 1696 B7R0.3 CNC(=O)CCC#C 1P027V64 [0,1,1,0,0,0|2,0,0]=4 1697 B7R0.3 CNC(=O)CCCCl 1P019VUY [0,1,1,0,0,0|2,0,0]=4 1698 B7R0.3 CNC(=O)CCCN 1P00AXOC [0,1,1,0,0,0|2,0,0]=4 1699 B7R0.3 CNC(=O)CCCS 1P01A62M [0,1,1,0,0,0|1,0,0]=3 1700 B7R0.3 CNC(=O)NCCO 1P00EE24 [0,1,1,0,0,0|1,1,0]=4 1701 B7R0.3 CNC(=O)OCCO 1P0011WV [0,1,1,0,0,0|1,1,0]=4 1702 B7R0.3 CNCCC(=O)NC 1P003TN5 [0,1,1,0,0,0|2,0,0]=4 1703 B7R0.3 CNCCC(=O)NC 1P00EEY9 [0,1,1,0,0,0|2,0,0]=4 1704 B7R0.3 CNCCC(=O)OC 1P002OYU [0,1,1,0,0,0|2,0,0]=4 1705 B7R0.3 CNCCC(=O)OC 1P00IBX1 [0,1,1,0,0,0|2,0,0]=4 1706 B7R0.3 COC(=O)CCC#C 1P00C4D8 [0,1,1,0,0,0|2,0,0]=4 1707 B7R0.3 COC(=O)CCC#N 1P003S8Q [0,1,1,0,0,0|2,0,0]=4 1708 B7R0.3 COC(=O)CCC=C 1P003SCU [0,1,1,0,0,0|2,0,0]=4 1709 B7R0.3 COC(=O)CCC=O 1P0036KR [0,1,1,0,0,0|1,1,0]=4 1710 B7R0.3 COC(=O)CCCBr 1P0035O3 [0,1,1,0,0,0|2,0,0]=4 1711 B7R0.3 COC(=O)CCCCl 1P0034GP [0,1,1,0,0,0|2,0,0]=4 1712 B7R0.3 COC(=O)CCCI 1P003SCF [0,1,1,0,0,0|2,0,0]=4 1713 B7R0.3 COC(=O)CCCN 1P000UR2 [0,1,1,0,0,0|2,0,0]=4 1714 B7R0.3 COC(=O)CCCS 1P00C7YW [0,1,1,0,0,0|1,0,0]=3 1715 B7R0.3 COC(=O)NCCN 1P01C256 [0,1,1,0,0,0|2,0,0]=4 1716 B7R0.3 COC(=O)NCCO 1P01AK5W [0,1,1,0,0,0|1,1,0]=4 1717 B7R0.3 COCCC(=O)CBr 1P027L2W [0,1,1,0,0,0|1,1,0]=4 1718 B7R0.3 COCCC(=O)CCl 1P01A0MB [0,1,1,0,0,0|1,1,0]=4 1719 B7R0.3 COCCC(=O)NC 1P01EW86 [0,1,1,0,0,0|1,1,0]=4 1720 B7R0.3 COCCC(=O)OC 1P003S9I [0,1,1,0,0,0|1,1,0]=4 1721 B7R0.3 COCOC(=O)CC 1P01DXTO [0,1,1,0,0,0|1,1,0]=4 1722 B7R0.3 CSCCC(=N)OC 1P027XZL [0,1,1,0,0,0|2,0,0]=4 1723 B7R0.3 CSCCC(=O)NC 1P028IDE [0,1,1,0,0,0|1,0,0]=3 1724 B7R0.3 CSCCC(=O)OC 1P003S6K [0,1,1,0,0,0|1,0,0]=3 1725 B7R0.3 C[C@H](C=O)CCCC 1P006QRH [0,1,1,0,0,0|1,0,0]=3 1726 B7R0.3 ClCC(=O)CCC=C 1P005QNE [0,1,1,0,0,0|2,0,0]=4 1727 B7R0.3 ClCCCC(=O)CC 1P01AC2E [0,1,1,0,0,0|1,0,0]=3 1728 B7R0.3 ClCCCC(=O)CCl 1P005KNM [0,1,1,0,0,0|2,0,0]=4 1729 B7R0.3 FCCNC(=O)CN 1P01BI6W [0,1,1,0,0,0|2,0,0]=4 1730 B7R0.3 ICCCC(=O)CC 1P0292M5 [0,1,1,0,0,0|1,0,0]=3 1731 B7R0.3 NCCNC(=O)CC 1P01DTQO [0,1,1,0,0,0|1,0,0]=3 1732 B7R0.3 NCCNC(=O)CC 1P01XCPR [0,1,1,0,0,0|1,0,0]=3 1733 B7R0.3 NCCNC(=O)CCl 1P01KKS1 [0,1,1,0,0,0|2,0,0]=4 1734 B7R0.3 NCCNC(=O)CN 1P02802M [0,1,1,0,0,0|2,0,0]=4 1735 B7R0.3 NCCNC(=O)CO 1P027UD6 [0,1,1,0,0,0|2,0,0]=4 1736 B7R0.3 NCCNC(=O)NC 1P01C42K [0,1,1,0,0,0|2,0,0]=4 1737 B7R0.3 NOCCC(=O)OC 1P028O5H [0,1,1,0,0,0|1,1,0]=4 1738 B7R0.3 OCCNC(=O)CC 1P0024IT [0,1,1,0,0,0|0,1,0]=3 1739 B7R0.3 OCCNC(=O)CN 1P008OS2 [0,1,1,0,0,0|1,1,0]=4 1740 B7R0.3 OCCNC(=O)CO 1P007ESF [0,1,1,0,0,0|1,1,0]=4 1741 B7R0.3 OCCOC(=O)CC 1P002P1Q [0,1,1,0,0,0|0,1,0]=3 1742 B7R0.3 [N-]=[N+]=NCC(=O)CC 1P027UC9 [0,1,1,0,0,0|2,0,0]=4 1743 B7R0.5 BrCCC(=O)N(C)C 1P0072TR [0,1,1,0,0,0|2,0,0]=4 1744 B7R0.5 C(C(C)C)(=O)OCBr 1P01FWOF [0,1,1,0,0,0|2,0,0]=4 1745 B7R0.5 CC(C(=N)N)CCC 1P01AVJM [0,1,1,0,0,0|2,0,0]=4 1746 B7R0.5 CC(C(=N)N)OCC 1P019SLY [0,1,1,0,0,0|1,1,0]=4 1747 B7R0.5 CC(C(=N)N)SCC 1P01A25V [0,1,1,0,0,0|1,0,0]=3 1748 B7R0.5 CC(C(=O)C)CCCl 1P007Q7I [0,1,1,0,0,0|2,0,0]=4 1749 B7R0.5 CC(C(=O)C)SC#N 1P00F1MD [0,1,1,0,0,0|1,0,1]=4 1750 B7R0.5 CC(C(=O)CC#N)C 1P002Z2H [0,1,1,0,0,0|1,0,1]=4 1751 B7R0.5 CC(C(=O)Cl)CCC 1P003I7K [0,1,1,0,0,0|1,0,0]=3 1752 B7R0.5 CC(C(=O)N)CCC 1P00607Q [0,1,1,0,0,0|1,0,0]=3 1753 B7R0.5 CC(C(=O)N)CCO 1P0077PI [0,1,1,0,0,0|2,0,0]=4 1754 B7R0.5 CC(C(=O)N)NCC 1P00J2EF [0,1,1,0,0,0|1,0,0]=3 1755 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [0,1,1,0,0,0|1,0,0]=3 1756 B7R0.5 CC(C(=O)O)CCN 1P007QFU [0,1,1,0,0,0|2,0,0]=4 1757 B7R0.5 CC(C(=O)O)CNC 1P00J2Y9 [0,1,1,0,0,0|2,0,0]=4 1758 B7R0.5 CC(C(=O)O)COC 1P007XM3 [0,1,1,0,0,0|2,0,0]=4 1759 B7R0.5 CC(C(=O)O)CSC 1P00EFBG [0,1,1,0,0,0|2,0,0]=4 1760 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [0,1,1,0,0,0|1,0,0]=3 1761 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [0,1,1,0,0,0|0,1,0]=3 1762 B7R0.5 CC(C(=O)O)SCC 1P002A2O [0,1,1,0,0,0|0,0,0]=2 1763 B7R0.5 CC(C(=S)N)OCC 1P019SM2 [0,1,1,0,0,0|0,2,0]=4 1764 B7R0.5 CCCC(=O)C(=O)C 1P003G1L [0,1,1,0,0,0|1,0,1]=4 1765 B7R0.5 CCCC(=O)C(C)C 1P003I37 [0,1,1,0,0,0|1,0,0]=3 1766 B7R0.5 CCCC(=O)N(C)C 1P003T1N [0,1,1,0,0,0|2,0,0]=4 1767 B7R0.5 CCCC(C(=O)C)Br 1P002ZAM [0,1,1,0,0,0|2,0,0]=4 1768 B7R0.5 CCCC(C(=O)N)Br 1P02852A [0,1,1,0,0,0|2,0,0]=4 1769 B7R0.5 CCCC(C(=O)N)N 1P01B51A [0,1,1,0,0,0|2,0,0]=4 1770 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [0,1,1,0,0,0|2,0,0]=4 1771 B7R0.5 CCCC(C(=O)O)F 1P00B18T [0,1,1,0,0,0|2,0,0]=4 1772 B7R0.5 CCCC(C(=O)O)N 1P0036YR [0,1,1,0,0,0|2,0,0]=4 1773 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [0,1,1,0,0,0|2,0,0]=4 1774 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [0,1,1,0,0,0|2,0,0]=4 1775 B7R0.5 CCC[C@@H](C(=O)N)N 1P0006EZ [0,1,1,0,0,0|2,0,0]=4 1776 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [0,1,1,0,0,0|2,0,0]=4 1777 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [0,1,1,0,0,0|2,0,0]=4 1778 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [0,1,1,0,0,0|2,0,0]=4 1779 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [0,1,1,0,0,0|2,0,0]=4 1780 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [0,1,1,0,0,0|2,0,0]=4 1781 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [0,1,1,0,0,0|2,0,0]=4 1782 B7R0.5 CCNC(=O)C(Cl)C 1P0063NN [0,1,1,0,0,0|2,0,0]=4 1783 B7R0.5 CCNC(=O)C(N)C 1P008VMH [0,1,1,0,0,0|2,0,0]=4 1784 B7R0.5 CCNC(=O)C(N)C 1P0098LW [0,1,1,0,0,0|2,0,0]=4 1785 B7R0.5 CCNC(=O)[C@@H](N)C 1P005QE2 [0,1,1,0,0,0|2,0,0]=4 1786 B7R0.5 CCNC(=O)[C@@H](O)C 1P00BBOD [0,1,1,0,0,0|2,0,0]=4 1787 B7R0.5 CCOC(=O)C(Br)C 1P0035B0 [0,1,1,0,0,0|2,0,0]=4 1788 B7R0.5 CCOC(=O)C(C)C 1P005ZBF [0,1,1,0,0,0|2,0,0]=4 1789 B7R0.5 CCOC(=O)C(Cl)C 1P003QKG [0,1,1,0,0,0|2,0,0]=4 1790 B7R0.5 CCOC(=O)C(F)C 1P000XDF [0,1,1,0,0,0|2,0,0]=4 1791 B7R0.5 CCOC(=O)C(I)C 1P00BE4W [0,1,1,0,0,0|2,0,0]=4 1792 B7R0.5 CCOC(=O)C(N)C 1P0037FG [0,1,1,0,0,0|2,0,0]=4 1793 B7R0.5 CCOC(=O)C(S)C 1P002BLG [0,1,1,0,0,0|2,0,0]=4 1794 B7R0.5 CCOC(=O)[C@@H](Br)C 1P0030CM [0,1,1,0,0,0|2,0,0]=4 1795 B7R0.5 CCOC(=O)[C@@H](F)C 1P028T69 [0,1,1,0,0,0|2,0,0]=4 1796 B7R0.5 CCOC(=O)[C@@H](N)C 1P0035JM [0,1,1,0,0,0|2,0,0]=4 1797 B7R0.5 CCOC(=O)[C@@H](O)C 1P0037A3 [0,1,1,0,0,0|2,0,0]=4 1798 B7R0.5 CCOC(=O)[C@H](F)C 1P005NLB [0,1,1,0,0,0|2,0,0]=4 1799 B7R0.5 CCOC(=O)[C@H](N)C 1P003POW [0,1,1,0,0,0|2,0,0]=4 1800 B7R0.5 CCOC(=O)[C@H](O)C 1P0035CT [0,1,1,0,0,0|2,0,0]=4 1801 B7R0.5 CCSC(=O)[C@@H](N)C 1P01KKNJ [0,1,1,0,0,0|2,0,0]=4 1802 B7R0.5 CN(C(=O)Cl)CCC 1P00E2CP [0,1,1,0,0,0|2,0,0]=4 1803 B7R0.5 COCC(=O)C(C)C 1P01ALE6 [0,1,1,0,0,0|2,0,0]=4 1804 B7R0.5 COCC(C(=O)C)C 1P00AXOM [0,1,1,0,0,0|2,0,0]=4 1805 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [0,1,1,0,0,0|2,0,0]=4 1806 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [0,1,1,0,0,0|1,0,0]=3 1807 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [0,1,1,0,0,0|2,0,0]=4 1808 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [0,1,1,0,0,0|1,0,0]=3 1809 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [0,1,1,0,0,0|1,0,1]=4 1810 B7R0.5 ClCCC(=O)N(C)C 1P007CZH [0,1,1,0,0,0|2,0,0]=4 1811 B7R0.5 ClCCC(C(=O)Cl)C 1P00I9PJ [0,1,1,0,0,0|2,0,0]=4 1812 B7R0.5 ClCOC(=O)C(C)C 1P0037G1 [0,1,1,0,0,0|2,0,0]=4 1813 B7R0.5 ICOC(=O)C(C)C 1P00ELWR [0,1,1,0,0,0|2,0,0]=4 1814 B7R0.5 NCCC(=O)C(F)F 1P0293OJ [0,1,1,0,0,0|2,0,0]=4 1815 B7R0.5 NCCC(=O)N(C)C 1P00ADJW [0,1,1,0,0,0|2,0,0]=4 1816 B7R0.5 NCCC(=O)N(C)C 1P00J2K2 [0,1,1,0,0,0|2,0,0]=4 1817 B7R0.5 OCCC(=C)C(C)C 1P028T6A [0,1,1,0,0,0|1,1,0]=4 1818 B7R0.5 OCCC(=O)C(C)C 1P009DD1 [0,1,1,0,0,0|0,1,0]=3 1819 B7R0.5 OCCC(=O)N(C)C 1P002XZ7 [0,1,1,0,0,0|1,1,0]=4 1820 B7R0.5 OCNC(=O)C(C)C 1P01DL1W [0,1,1,0,0,0|1,1,0]=4 1821 B7R0.5 [O-]C(=O)C(CCO)C 1P01EMT0 [0,1,1,0,0,0|2,0,0]=4 1822 B7R0.7 BrCCC(=C)CCBr 1P01DHUS [0,1,1,0,0,0|2,0,0]=4 1823 B7R0.7 BrCCC(=O)CCBr 1P001CLU [0,1,1,0,0,0|1,0,0]=3 1824 B7R0.7 BrCCC(=O)NCC 1P01STCA [0,1,1,0,0,0|1,0,0]=3 1825 B7R0.7 BrCCC(=O)OCC 1P0035BI [0,1,1,0,0,0|1,0,0]=3 1826 B7R0.7 CC(N=C=O)CCC 1P01B3IO [0,1,1,0,0,0|1,0,1]=4 1827 B7R0.7 CC(SCC)CC=O 1P00C4U2 [0,1,1,0,0,0|0,0,0]=2 1828 B7R0.7 CCCC(=C)CCO 1P028FMM [0,1,1,0,0,0|1,1,0]=4 1829 B7R0.7 CCCC(=N)OCC 1P00JTEH [0,1,1,0,0,0|2,0,0]=4 1830 B7R0.7 CCCC(=O)CCC 1P000KD4 [0,1,1,0,0,0|1,0,0]=3 1831 B7R0.7 CCCC(=O)CCN 1P028CRC [0,1,1,0,0,0|1,0,0]=3 1832 B7R0.7 CCCC(=O)OCBr 1P0289LM [0,1,1,0,0,0|2,0,0]=4 1833 B7R0.7 CCCC(=O)OCC 1P00351H [0,1,1,0,0,0|1,0,0]=3 1834 B7R0.7 CCCC(=O)OCCl 1P007D9T [0,1,1,0,0,0|2,0,0]=4 1835 B7R0.7 CCCC(CC=O)C 1P002GOG [0,1,1,0,0,0|1,0,0]=3 1836 B7R0.7 CCNC(=O)CC#N 1P001MY4 [0,1,1,0,0,0|1,0,1]=4 1837 B7R0.7 CCNC(=O)NCC 1P003E0B [0,1,1,0,0,0|2,0,0]=4 1838 B7R0.7 CCNC(=O)OCC 1P003QWP [0,1,1,0,0,0|2,0,0]=4 1839 B7R0.7 CCOC(=O)CC#C 1P00DG5U [0,1,1,0,0,0|1,0,1]=4 1840 B7R0.7 CCOC(=O)CC#N 1P0038SS [0,1,1,0,0,0|1,0,1]=4 1841 B7R0.7 CCOC(=O)CC=C 1P001WAA [0,1,1,0,0,0|1,0,1]=4 1842 B7R0.7 CCOC(=O)CC=O 1P0037SO [0,1,1,0,0,0|0,1,1]=4 1843 B7R0.7 CCOC(=O)CNN 1P0035CX [0,1,1,0,0,0|2,0,0]=4 1844 B7R0.7 CCOC(=O)CNN 1P01B6UN [0,1,1,0,0,0|2,0,0]=4 1845 B7R0.7 CCOC(=O)CON 1P00CTC8 [0,1,1,0,0,0|2,0,0]=4 1846 B7R0.7 CCOC(=O)OCC 1P00356U [0,1,1,0,0,0|2,0,0]=4 1847 B7R0.7 CCOC(=O)OCCl 1P00399D [0,1,1,0,0,0|2,0,0]=4 1848 B7R0.7 CCOC(=O)OCI 1P0052YB [0,1,1,0,0,0|2,0,0]=4 1849 B7R0.7 CCSC(=O)SCC 1P003Q8V [0,1,1,0,0,0|2,0,0]=4 1850 B7R0.7 CNCC(=O)NCC 1P00GS3R [0,1,1,0,0,0|2,0,0]=4 1851 B7R0.7 CNCC(=O)OCC 1P0010IK [0,1,1,0,0,0|2,0,0]=4 1852 B7R0.7 CNCC(=O)OCC 1P0037KZ [0,1,1,0,0,0|2,0,0]=4 1853 B7R0.7 COCC(=O)COC 1P003E0W [0,1,1,0,0,0|2,0,0]=4 1854 B7R0.7 COCC(=O)OCC 1P003QWG [0,1,1,0,0,0|2,0,0]=4 1855 B7R0.7 COCC(CC=O)C 1P0292UC [0,1,1,0,0,0|2,0,0]=4 1856 B7R0.7 CSCC(=O)CCN 1P027ZVY [0,1,1,0,0,0|1,0,0]=3 1857 B7R0.7 CSCC(=O)OCC 1P00DEUP [0,1,1,0,0,0|2,0,0]=4 1858 B7R0.7 ClCCC(=N)OCC 1P00C39N [0,1,1,0,0,0|2,0,0]=4 1859 B7R0.7 ClCCC(=O)CCCl 1P00C63H [0,1,1,0,0,0|1,0,0]=3 1860 B7R0.7 ClCCC(=O)NCC 1P00C90F [0,1,1,0,0,0|1,0,0]=3 1861 B7R0.7 ClCCC(=O)OCC 1P0037NW [0,1,1,0,0,0|1,0,0]=3 1862 B7R0.7 ICCC(=O)CCI 1P028HD4 [0,1,1,0,0,0|1,0,0]=3 1863 B7R0.7 ICCC(=O)OCC 1P003QOM [0,1,1,0,0,0|1,0,0]=3 1864 B7R0.7 NCCC(=O)CCN 1P0291V4 [0,1,1,0,0,0|1,0,0]=3 1865 B7R0.7 NCCC(=O)OCC 1P003QNU [0,1,1,0,0,0|1,0,0]=3 1866 B7R0.7 OCCC(=O)CCCl 1P027TLK [0,1,1,0,0,0|0,1,0]=3 1867 B7R0.7 OCCC(=O)CCO 1P00BZ06 [0,1,1,0,0,0|0,1,0]=3 1868 B7R0.7 OCCC(=O)NCC 1P01BB4T [0,1,1,0,0,0|0,1,0]=3 1869 B7R0.7 OCCC(=O)OCC 1P0035BL [0,1,1,0,0,0|0,1,0]=3 1870 B7R0.7 OCCS(=O)CCO 1P00BE4F [0,1,1,0,0,0|1,1,0]=4 1871 B7R0.7 SCCC(=O)OCC 1P003QOP [0,1,1,0,0,0|0,0,0]=2 1872 B7R0.7 [C-]#[N+]CC(=O)OCC 1P00I61H [0,1,1,0,0,0|2,0,0]=4 1873 B7R0.10 CC(C(=O)CC)C#N 1P019VUI [0,1,1,0,0,0|1,0,1]=4 1874 B7R0.10 CC(C(=O)NC)CN 1P00J2NA [0,1,1,0,0,0|2,0,0]=4 1875 B7R0.10 CC(C(=O)OC)C=O 1P00DM2O [0,1,1,0,0,0|2,0,0]=4 1876 B7R0.10 CC(C(=O)OC)CBr 1P002AZJ [0,1,1,0,0,0|2,0,0]=4 1877 B7R0.10 CC(C(=O)OC)CF 1P028N17 [0,1,1,0,0,0|2,0,0]=4 1878 B7R0.10 CC(C(=O)OC)CN 1P00490T [0,1,1,0,0,0|2,0,0]=4 1879 B7R0.10 CC(C(=O)OC)CO 1P01A9LL [0,1,1,0,0,0|1,1,0]=4 1880 B7R0.10 CC(C(=O)OC)CS 1P00D6G2 [0,1,1,0,0,0|1,0,0]=3 1881 B7R0.10 CCC(=O)C(=O)CC 1P00DEQE [0,1,1,0,0,0|1,0,1]=4 1882 B7R0.10 CCC(=O)C(CC)O 1P003UFW [0,1,1,0,0,0|1,0,0]=3 1883 B7R0.10 CCC(=O)N(CC)C 1P01XBR5 [0,1,1,0,0,0|2,0,0]=4 1884 B7R0.10 CCC(C(=O)CN)C 1P028VDR [0,1,1,0,0,0|2,0,0]=4 1885 B7R0.10 CCC(C(=O)OC)Br 1P003763 [0,1,1,0,0,0|2,0,0]=4 1886 B7R0.10 CCC(C(=O)OC)C 1P003S5F [0,1,1,0,0,0|2,0,0]=4 1887 B7R0.10 CCC(C(=O)OC)Cl 1P002TT6 [0,1,1,0,0,0|2,0,0]=4 1888 B7R0.10 CCC(C(=O)OC)N 1P003599 [0,1,1,0,0,0|2,0,0]=4 1889 B7R0.10 CCC(C(=O)OC)O 1P002ZIT [0,1,1,0,0,0|2,0,0]=4 1890 B7R0.10 CCC(C(=O)OC)S 1P0289SO [0,1,1,0,0,0|2,0,0]=4 1891 B7R0.10 CC[C@@H](C(=O)CBr)N 1P0292PL [0,1,1,0,0,0|2,0,0]=4 1892 B7R0.10 CC[C@@H](C(=O)NC)N 1P0290BF [0,1,1,0,0,0|2,0,0]=4 1893 B7R0.10 CC[C@@H](C(=O)OC)Br 1P02848G [0,1,1,0,0,0|2,0,0]=4 1894 B7R0.10 CC[C@@H](C(=O)OC)N 1P0039SD [0,1,1,0,0,0|2,0,0]=4 1895 B7R0.10 CC[C@@H](C(=O)OC)N 1P00AND3 [0,1,1,0,0,0|2,0,0]=4 1896 B7R0.10 CC[C@@H](C(=O)OC)O 1P0036DS [0,1,1,0,0,0|2,0,0]=4 1897 B7R0.10 CC[C@H](C(=O)CBr)N 1P02804I [0,1,1,0,0,0|2,0,0]=4 1898 B7R0.10 CC[C@H](C(=O)NC)N 1P02917U [0,1,1,0,0,0|2,0,0]=4 1899 B7R0.10 CC[C@H](C(=O)OC)Br 1P01DFTB [0,1,1,0,0,0|2,0,0]=4 1900 B7R0.10 CC[C@H](C(=O)OC)N 1P0036WD [0,1,1,0,0,0|2,0,0]=4 1901 B7R0.10 CC[C@H](C(=O)OC)O 1P0036DY [0,1,1,0,0,0|2,0,0]=4 1902 B7R0.10 CNC(=O)C(CN)O 1P01BEER [0,1,1,0,0,0|2,0,0]=4 1903 B7R0.10 CNC(=O)C(CO)N 1P01A7H4 [0,1,1,0,0,0|1,1,0]=4 1904 B7R0.10 CNC(=O)C(CO)N 1P027TPQ [0,1,1,0,0,0|1,1,0]=4 1905 B7R0.10 COC(=O)C(CBr)Br 1P003S26 [0,1,1,0,0,0|2,0,0]=4 1906 B7R0.10 COC(=O)C(CCl)Cl 1P00BXT1 [0,1,1,0,0,0|2,0,0]=4 1907 B7R0.10 COC(=O)C(CCl)N 1P007DBD [0,1,1,0,0,0|2,0,0]=4 1908 B7R0.10 COC(=O)C(CCl)O 1P00CN6U [0,1,1,0,0,0|2,0,0]=4 1909 B7R0.10 COC(=O)C(CF)N 1P009GSZ [0,1,1,0,0,0|2,0,0]=4 1910 B7R0.10 COC(=O)C(CF)O 1P028ZOR [0,1,1,0,0,0|2,0,0]=4 1911 B7R0.10 COC(=O)C(CN)F 1P01ALX5 [0,1,1,0,0,0|2,0,0]=4 1912 B7R0.10 COC(=O)C(CN)O 1P01A438 [0,1,1,0,0,0|2,0,0]=4 1913 B7R0.10 COC(=O)C(CO)Br 1P00G8R7 [0,1,1,0,0,0|1,1,0]=4 1914 B7R0.10 COC(=O)C(CO)F 1P006LWG [0,1,1,0,0,0|1,1,0]=4 1915 B7R0.10 COC(=O)C(CO)N 1P0035KP [0,1,1,0,0,0|1,1,0]=4 1916 B7R0.10 COC(=O)C(CO)N 1P00IAHU [0,1,1,0,0,0|1,1,0]=4 1917 B7R0.10 COC(=O)C(CO)O 1P01GNO2 [0,1,1,0,0,0|1,1,0]=4 1918 B7R0.10 COC(=O)C(CS)N 1P00E3PB [0,1,1,0,0,0|1,0,0]=3 1919 B7R0.10 COC(=O)[C@@H](CBr)N 1P028ABJ [0,1,1,0,0,0|2,0,0]=4 1920 B7R0.10 COC(=O)[C@@H](CCl)N 1P003D48 [0,1,1,0,0,0|2,0,0]=4 1921 B7R0.10 COC(=O)[C@@H](CO)Br 1P023OOG [0,1,1,0,0,0|1,1,0]=4 1922 B7R0.10 COC(=O)[C@@H](CO)N 1P00359W [0,1,1,0,0,0|1,1,0]=4 1923 B7R0.10 COC(=O)[C@@H](CO)O 1P0024OK [0,1,1,0,0,0|1,1,0]=4 1924 B7R0.10 COC(=O)[C@@H](CS)N 1P003PPN [0,1,1,0,0,0|1,0,0]=3 1925 B7R0.10 COC(=O)[C@H](CBr)N 1P028AUV [0,1,1,0,0,0|2,0,0]=4 1926 B7R0.10 COC(=O)[C@H](CCl)N 1P007UNW [0,1,1,0,0,0|2,0,0]=4 1927 B7R0.10 COC(=O)[C@H](CN)F 1P01BIWZ [0,1,1,0,0,0|2,0,0]=4 1928 B7R0.10 COC(=O)[C@H](CN)O 1P01A3MB [0,1,1,0,0,0|2,0,0]=4 1929 B7R0.10 COC(=O)[C@H](CO)Br 1P01XFPL [0,1,1,0,0,0|1,1,0]=4 1930 B7R0.10 COC(=O)[C@H](CO)O 1P007IRI [0,1,1,0,0,0|1,1,0]=4 1931 B7R0.10 COC(=O)[C@H](CS)N 1P0039K7 [0,1,1,0,0,0|1,0,0]=3 1932 B7R0.10 COC(=O)[C@H](CS)N 1P003RPE [0,1,1,0,0,0|1,0,0]=3 1933 B7R0.10 C[C@@H](C(=O)OC)CBr 1P003RZT [0,1,1,0,0,0|2,0,0]=4 1934 B7R0.10 C[C@@H](C(=O)OC)CN 1P028GC7 [0,1,1,0,0,0|2,0,0]=4 1935 B7R0.10 C[C@@H](C(=O)OC)CO 1P0035LR [0,1,1,0,0,0|1,1,0]=4 1936 B7R0.10 C[C@H](C(=O)OC)CBr 1P003RZM [0,1,1,0,0,0|2,0,0]=4 1937 B7R0.10 C[C@H](C(=O)OC)CN 1P01RNEO [0,1,1,0,0,0|2,0,0]=4 1938 B7R0.10 C[C@H](C(=O)OC)CO 1P0035LU [0,1,1,0,0,0|1,1,0]=4 1939 B7R0.10 NC[C@@H](C(=O)OC)N 1P00AOD5 [0,1,1,0,0,0|2,0,0]=4 1940 B7R0.10 OCC(=O)[C@H](CO)O 1P00DDQ7 [0,1,1,0,0,0|1,1,0]=4 1941 B7R0.10 OCC(C(=C)CC)C 1P028X8L [0,1,1,0,0,0|1,1,0]=4 1942 B7R0.10 OCC(C(=O)CC)C 1P01HOP8 [0,1,1,0,0,0|0,1,0]=3 1943 B7R0.11 CCOC(C=O)(C)C 1P000VEU [0,1,1,0,0,0|0,1,0]=3 1944 B7R0.11 COCC(C=O)(C)C 1P002SX6 [0,1,1,0,0,0|2,0,0]=4 1945 B7R0.11 CSSC(C=O)(C)C 1P0062PJ [0,1,1,0,0,0|1,0,0]=3 1946 B7R0.11 ClCCC(C=O)(C)C 1P01EC3Q [0,1,1,0,0,0|2,0,0]=4 1947 B7R0.11 ClCCS(=O)(=O)CC 1P007OQ5 [0,1,1,0,0,0|2,0,0]=4 1948 B7R0.11 NCCS(=O)(=O)CC 1P001Z9S [0,1,1,0,0,0|2,0,0]=4 1949 B7R0.11 NCCS(=O)(=O)CC 1P00J2KG [0,1,1,0,0,0|2,0,0]=4 1950 B7R0.11 SCCC(CC)(F)F 1P028E6U [0,1,1,0,0,0|1,0,1]=4 1951 B7R0.12 CCCC(C=O)CC 1P00BGAL [0,1,1,0,0,0|1,0,0]=3 1952 B7R0.12 CCCC(C=O)OC 1P01ANSK [0,1,1,0,0,0|1,0,0]=3 1953 B7R0.12 CCCN(N=O)CC 1P00BDS0 [0,1,1,0,0,0|2,0,0]=4 1954 B7R0.12 NCCN(N=O)CC 1P0282XE [0,1,1,0,0,0|2,0,0]=4 1955 B7R0.12 OCCC(=CC)CC 1P028FVX [0,1,1,0,0,0|1,1,0]=4 1956 B7R0.12 OCCN(N=O)CC 1P000WQ8 [0,1,1,0,0,0|1,1,0]=4 1957 B7R0.12 SCCC(CC)CC 1P028LP9 [0,1,1,0,0,0|1,0,1]=4 1958 B7R0.12 SCCN(CC)CC 1P003HM2 [0,1,1,0,0,0|2,0,0]=4 1959 B7R0.13 CC(C(=O)N)(CC)N 1P01A94H [0,1,1,0,0,0|2,0,0]=4 1960 B7R0.13 CC(C(=O)N)(CC)N 1P01ADWL [0,1,1,0,0,0|2,0,0]=4 1961 B7R0.13 CC(C(=O)O)(CC)Br 1P00BY6X [0,1,1,0,0,0|2,0,0]=4 1962 B7R0.13 CC(C(=O)O)(CC)F 1P028RFD [0,1,1,0,0,0|2,0,0]=4 1963 B7R0.13 CC(C(=O)O)(CC)N 1P0072LM [0,1,1,0,0,0|2,0,0]=4 1964 B7R0.13 CC(C(=O)O)(CC)N 1P00FJ8C [0,1,1,0,0,0|2,0,0]=4 1965 B7R0.13 CC(C(=O)O)(CC)O 1P0033ST [0,1,1,0,0,0|2,0,0]=4 1966 B7R0.13 CCC(C(=O)C)(C)C 1P002J2S [0,1,1,0,0,0|1,0,0]=3 1967 B7R0.13 CCC(C(=O)Cl)(C)C 1P003BJY [0,1,1,0,0,0|2,0,0]=4 1968 B7R0.13 CCC(C(=O)N)(C)C 1P0006RV [0,1,1,0,0,0|2,0,0]=4 1969 B7R0.13 CCC(C(=O)O)(C)C 1P003FSB [0,1,1,0,0,0|2,0,0]=4 1970 B7R0.13 CCS(=O)(=N)C(C)C 1P01BS7E [0,1,1,0,0,0|2,0,0]=4 1971 B7R0.13 CCS(=O)(=O)C(C)C 1P003QW8 [0,1,1,0,0,0|2,0,0]=4 1972 B7R0.13 CNC(C(=O)N)(C)C 1P01BBOR [0,1,1,0,0,0|2,0,0]=4 1973 B7R0.13 CNC(C(=O)N)(C)C 1P01BCN5 [0,1,1,0,0,0|2,0,0]=4 1974 B7R0.13 CNC(C(=O)O)(C)C 1P0017L1 [0,1,1,0,0,0|2,0,0]=4 1975 B7R0.13 CNC(C(=O)O)(C)C 1P003TM2 [0,1,1,0,0,0|2,0,0]=4 1976 B7R0.13 COC(C(=O)C)(C)C 1P00CS4C [0,1,1,0,0,0|0,1,0]=3 1977 B7R0.13 COC(C(=O)N)(C)C 1P008K10 [0,1,1,0,0,0|1,1,0]=4 1978 B7R0.13 COC(C(=O)O)(C)C 1P00194A [0,1,1,0,0,0|1,1,0]=4 1979 B7R0.13 CSC(C(=O)O)(C)C 1P01B62J [0,1,1,0,0,0|1,0,0]=3 1980 B7R0.13 C[C@@](C(=O)O)(CC)N 1P00E3LH [0,1,1,0,0,0|2,0,0]=4 1981 B7R0.13 C[C@@](C(=O)O)(CC)O 1P01GB7L [0,1,1,0,0,0|2,0,0]=4 1982 B7R0.13 C[C@](C(=O)O)(CC)N 1P00313O [0,1,1,0,0,0|2,0,0]=4 1983 B7R0.13 ClCC(C(=O)C)(C)C 1P01C2Z1 [0,1,1,0,0,0|2,0,0]=4 1984 B7R0.13 N#CC(C(=O)C)(C)C 1P00CL9C [0,1,1,0,0,0|2,0,0]=4 1985 B7R0.13 OCC(C(=O)C)(C)C 1P00AXPU [0,1,1,0,0,0|2,0,0]=4 1986 B7R0.14 BrCC(=O)C(Br)(C)C 1P019TRT [0,1,1,0,0,0|2,0,0]=4 1987 B7R0.14 BrCC(=O)C(C)(C)C 1P003EMF [0,1,1,0,0,0|2,0,0]=4 1988 B7R0.14 BrCC(=O)C(Cl)(C)C 1P028VT6 [0,1,1,0,0,0|2,0,0]=4 1989 B7R0.14 BrCC(=O)C(F)(C)C 1P027W7H [0,1,1,0,0,0|2,0,0]=4 1990 B7R0.14 BrCC(=O)C(F)(F)C 1P028VHC [0,1,1,0,0,0|2,0,0]=4 1991 B7R0.14 BrCC(=O)C(O)(C)C 1P028O9L [0,1,1,0,0,0|1,1,0]=4 1992 B7R0.14 CCC(=O)C(C)(C)C 1P00ECPR [0,1,1,0,0,0|1,0,0]=3 1993 B7R0.14 CCC(=O)C(F)(F)F 1P00I7YX [0,1,1,0,0,0|2,0,0]=4 1994 B7R0.14 CCC(=O)C(S)(C)C 1P027U3A [0,1,1,0,0,0|0,0,0]=2 1995 B7R0.14 CCC(S(=O)(=N)C)C 1P01BS74 [0,1,1,0,0,0|2,0,0]=4 1996 B7R0.14 CNC(=O)C(Br)(C)C 1P005THQ [0,1,1,0,0,0|2,0,0]=4 1997 B7R0.14 CNC(=O)C(C)(C)C 1P003TPC [0,1,1,0,0,0|2,0,0]=4 1998 B7R0.14 CNC(=O)C(N)(C)C 1P00GBU9 [0,1,1,0,0,0|2,0,0]=4 1999 B7R0.14 COC(=O)C(Br)(C)C 1P0035ML [0,1,1,0,0,0|2,0,0]=4 2000 B7R0.14 COC(=O)C(C)(C)C 1P00E9VV [0,1,1,0,0,0|2,0,0]=4 2001 B7R0.14 COC(=O)C(Cl)(C)C 1P01BDCB [0,1,1,0,0,0|2,0,0]=4 2002 B7R0.14 COC(=O)C(Cl)(Cl)C 1P01E39A [0,1,1,0,0,0|2,0,0]=4 2003 B7R0.14 COC(=O)C(F)(C)C 1P003S4H [0,1,1,0,0,0|2,0,0]=4 2004 B7R0.14 COC(=O)C(F)(F)C 1P00C74S [0,1,1,0,0,0|2,0,0]=4 2005 B7R0.14 COC(=O)C(N)(C)C 1P00A2K0 [0,1,1,0,0,0|2,0,0]=4 2006 B7R0.14 COC(=O)C(N)(C)C 1P00APYY [0,1,1,0,0,0|2,0,0]=4 2007 B7R0.14 COC(=O)C(O)(C)C 1P002LKW [0,1,1,0,0,0|1,1,0]=4 2008 B7R0.14 COC(=O)C(S)(C)C 1P004PAF [0,1,1,0,0,0|1,0,0]=3 2009 B7R0.14 ClCC(=O)C(C)(C)C 1P003BI7 [0,1,1,0,0,0|2,0,0]=4 2010 B7R0.14 ClCC(=O)C(F)(C)C 1P01BDCF [0,1,1,0,0,0|2,0,0]=4 2011 B7R0.14 ClCC(=O)C(F)(F)C 1P02902D [0,1,1,0,0,0|2,0,0]=4 2012 B7R0.14 NCC(=O)C(C)(C)C 1P005EY2 [0,1,1,0,0,0|2,0,0]=4 2013 B7R0.14 NCC(=O)C(C)(C)C 1P00BZ0N [0,1,1,0,0,0|2,0,0]=4 2014 B7R0.14 NCC(=O)C(O)(C)C 1P01BUOU [0,1,1,0,0,0|1,1,0]=4 2015 B7R0.14 OCC(=O)C(C)(C)C 1P00D4CO [0,1,1,0,0,0|2,0,0]=4 2016 B7R0.14 SCC(=O)C(C)(C)C 1P0089HX [0,1,1,0,0,0|2,0,0]=4 2017 B7R0.15 CCC(C(=O)C)C#N 1P01BF2U [0,1,1,0,0,0|1,0,1]=4 2018 B7R0.15 CCC(C(=O)C)CC 1P00ECA8 [0,1,1,0,0,0|1,0,0]=3 2019 B7R0.15 CCC(C(=O)Cl)CC 1P0033RE [0,1,1,0,0,0|2,0,0]=4 2020 B7R0.15 CCC(C(=O)N)CC 1P007TDC [0,1,1,0,0,0|2,0,0]=4 2021 B7R0.15 CCC(C(=O)N)NC 1P009E93 [0,1,1,0,0,0|2,0,0]=4 2022 B7R0.15 CCC(C(=O)O)CC 1P003HO8 [0,1,1,0,0,0|2,0,0]=4 2023 B7R0.15 CCC(C(=O)O)CN 1P01AH6Z [0,1,1,0,0,0|2,0,0]=4 2024 B7R0.15 CCC(C(=O)O)NC 1P019XQL [0,1,1,0,0,0|2,0,0]=4 2025 B7R0.15 CCC(C(=O)O)OC 1P00EE8W [0,1,1,0,0,0|1,1,0]=4 2026 B7R0.15 CCC(C(=O)O)SC 1P01A281 [0,1,1,0,0,0|1,0,0]=3 2027 B7R0.15 CCC(C(=O)[O-])CC 1P003RV0 [0,1,1,0,0,0|2,0,0]=4 2028 B7R0.15 CCC(C(=O)[O-])CO 1P01C65A [0,1,1,0,0,0|2,0,0]=4 2029 B7R0.15 CCC(C(C)C)C=O 1P002SX4 [0,1,1,0,0,0|1,0,1]=4 2030 B7R0.15 CCN(C(=O)C)CC 1P003T5C [0,1,1,0,0,0|2,0,0]=4 2031 B7R0.15 CCN(C(C)C)N=O 1P00B0IH [0,1,1,0,0,0|2,0,0]=4 2032 B7R0.15 CC[C@@H](C(=O)N)NC 1P01XC7N [0,1,1,0,0,0|2,0,0]=4 2033 B7R0.15 CC[C@@H](C(=O)O)NC 1P0048OD [0,1,1,0,0,0|2,0,0]=4 2034 B7R0.15 CC[C@H](C(=O)O)CN 1P00IV03 [0,1,1,0,0,0|2,0,0]=4 2035 B7R0.15 CC[C@H](C(=O)O)NC 1P028GU2 [0,1,1,0,0,0|2,0,0]=4 2036 B7R0.15 CN[C@@H](C(=O)O)CO 1P006LN1 [0,1,1,0,0,0|2,0,0]=4 2037 B7R0.15 CN[C@H](C(=O)O)CO 1P009WAM [0,1,1,0,0,0|2,0,0]=4 2038 B7R0.15 CN[C@H](C(=O)O)CS 1P009BLQ [0,1,1,0,0,0|2,0,0]=4 2039 B7R0.15 COC(C(=O)C)OC 1P003SKQ [0,1,1,0,0,0|0,1,0]=3 2040 B7R0.15 COC(C(=O)N)OC 1P005COP [0,1,1,0,0,0|1,1,0]=4 2041 B7R0.15 COC(C(=O)O)CN 1P01A4AE [0,1,1,0,0,0|1,1,0]=4 2042 B7R0.15 COC(C(=O)O)CO 1P0287BD [0,1,1,0,0,0|1,1,0]=4 2043 B7R0.15 COC(C(=O)O)OC 1P00ICVO [0,1,1,0,0,0|1,1,0]=4 2044 B7R0.15 CSC(C(=O)O)CCl 1P028MYD [0,1,1,0,0,0|1,0,0]=3 2045 B7R0.15 CSC(C(=O)O)SC 1P028OBG [0,1,1,0,0,0|1,0,0]=3 2046 B7R0.15 CSC(C(N)C)CO 1P01AKKC [0,1,1,0,0,0|1,0,1]=4 2047 B7R0.15 NCC(C(=O)O)NC 1P01BI8O [0,1,1,0,0,0|2,0,0]=4 2048 B7R0.16 CC(C(=O)C(=O)C)Br 1P0034FA [0,1,1,0,0,0|0,1,1]=4 2049 B7R0.16 CC(C(=O)C(Br)C)Br 1P003G68 [0,1,1,0,0,0|1,0,0]=3 2050 B7R0.16 CC(C(=O)C(Br)C)C 1P00BIFH [0,1,1,0,0,0|1,0,0]=3 2051 B7R0.16 CC(C(=O)C(C)C)C 1P003GAT [0,1,1,0,0,0|1,0,0]=3 2052 B7R0.16 CC(C(=O)C(S)C)C 1P027UEB [0,1,1,0,0,0|0,0,0]=2 2053 B7R0.16 CC(C(=O)C)C(=O)C 1P003K5P [0,1,1,0,0,0|1,0,0]=3 2054 B7R0.16 CC(C(=O)Cl)C(C)C 1P00DRED [0,1,1,0,0,0|2,0,0]=4 2055 B7R0.16 CC(C(=O)N)N(C)C 1P0285J8 [0,1,1,0,0,0|2,0,0]=4 2056 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [0,1,1,0,0,0|2,0,0]=4 2057 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [0,1,1,0,0,0|2,0,0]=4 2058 B7R0.16 CC(C(=O)O)N(C)C 1P00ADBV [0,1,1,0,0,0|2,0,0]=4 2059 B7R0.16 CC(C(C(=O)C)C)C 1P01HJ3E [0,1,1,0,0,0|1,0,0]=3 2060 B7R0.16 CC(C(C(=O)C)S)C 1P005IKG [0,1,1,0,0,0|2,0,0]=4 2061 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [0,1,1,0,0,0|2,0,0]=4 2062 B7R0.16 CC(P(=O)C(C)C)C 1P01GH10 [0,1,1,0,0,0|2,0,0]=4 2063 B7R0.16 CN(C(=O)C)C(=O)C 1P003TO0 [0,1,1,0,0,0|2,0,0]=4 2064 B7R0.16 C[C@@H](C(=O)N)N(C)C 1P02801D [0,1,1,0,0,0|2,0,0]=4 2065 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [0,1,1,0,0,0|2,0,0]=4 2066 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P001XKS [0,1,1,0,0,0|2,0,0]=4 2067 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P00BHJU [0,1,1,0,0,0|2,0,0]=4 2068 B7R0.16 C[C@H](C(=O)N)N(C)C 1P024HWJ [0,1,1,0,0,0|2,0,0]=4 2069 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [0,1,1,0,0,0|2,0,0]=4 2070 B7R0.16 C[C@H](C(=O)O)N(C)C 1P001PX5 [0,1,1,0,0,0|2,0,0]=4 2071 B7R0.16 C[C@H](C(=O)O)N(C)C 1P00J3DF [0,1,1,0,0,0|2,0,0]=4 2072 B7R0.16 ClC(C(=O)C)C(=O)C 1P003442 [0,1,1,0,0,0|2,0,0]=4 2073 B7R0.16 NC(C(=O)C)C(=O)C 1P01A8FL [0,1,1,0,0,0|2,0,0]=4 2074 B7R0.16 O=C(N(C)C)C(Br)C 1P00DANW [0,1,1,0,0,0|2,0,0]=4 2075 B7R0.16 O=C(N(C)C)C(C)C 1P003SWW [0,1,1,0,0,0|2,0,0]=4 2076 B7R0.16 O=C(N(C)C)C(Cl)C 1P008UJG [0,1,1,0,0,0|2,0,0]=4 2077 B7R0.16 O=C(N(C)C)C(N)C 1P009E8P [0,1,1,0,0,0|2,0,0]=4 2078 B7R0.16 O=C(N(C)C)C(N)C 1P00J2IR [0,1,1,0,0,0|2,0,0]=4 2079 B7R0.16 O=C(N(C)C)C(O)C 1P00C8UH [0,1,1,0,0,0|1,1,0]=4 2080 B7R0.16 O=C(N(C)C)[C@@H](N)C 1P019FMT [0,1,1,0,0,0|2,0,0]=4 2081 B7R0.1 BrCCCCCC=C 1P0034UK [0,1,1,0,0,0|2,0,0]=4 2082 B7R0.1 BrCCOCCC=C 1P028VDA [0,1,1,0,0,0|1,1,0]=4 2083 B7R0.1 C=CCCCCC=O 1P007WQ2 [0,1,1,0,0,0|1,0,1]=4 2084 B7R0.1 C=CCCCNCC 1P01EMH2 [0,1,1,0,0,0|2,0,0]=4 2085 B7R0.1 C=CCOCCC=O 1P01EMOE [0,1,1,0,0,0|0,1,1]=4 2086 B7R0.1 CCCCCCC=C 1P0033AH [0,1,1,0,0,0|2,0,0]=4 2087 B7R0.1 CCCCCCC=O 1P003RBK [0,1,1,0,0,0|1,0,0]=3 2088 B7R0.1 CCCCCN=C=O 1P003U2Z [0,1,1,0,0,0|1,0,1]=4 2089 B7R0.1 CCCCOCC=C 1P003O6A [0,1,1,0,0,0|2,0,0]=4 2090 B7R0.1 CCCCOCC=O 1P002VRW [0,1,1,0,0,0|1,0,0]=3 2091 B7R0.1 CCCC\C=C\C=O 1P002H9Q [0,1,1,0,0,0|1,0,1]=4 2092 B7R0.1 CCCSSCC=C 1P003O6L [0,1,1,0,0,0|2,0,0]=4 2093 B7R0.1 CCOCCN=C=O 1P01EXHN [0,1,1,0,0,0|0,1,1]=4 2094 B7R0.1 CCSCCCC#C 1P028WX1 [0,1,1,0,0,0|1,0,1]=4 2095 B7R0.1 CCSCCSCC 1P00D8Y4 [0,1,1,0,0,0|1,0,1]=4 2096 B7R0.1 CC\C=C/CCC=O 1P003PFX [0,1,1,0,0,0|1,0,0]=3 2097 B7R0.1 CNCCCCC=C 1P004T6Q [0,1,1,0,0,0|2,0,0]=4 2098 B7R0.1 CNCCCCC=C 1P00DFP1 [0,1,1,0,0,0|2,0,0]=4 2099 B7R0.1 COCCCCC=O 1P004U88 [0,1,1,0,0,0|1,0,0]=3 2100 B7R0.1 COCCSCCN 1P028WE8 [0,1,1,0,0,0|2,0,0]=4 2101 B7R0.1 COCCSCCO 1P00CDXF [0,1,1,0,0,0|2,0,0]=4 2102 B7R0.1 CSCCCCC=O 1P028FY9 [0,1,1,0,0,0|1,0,0]=3 2103 B7R0.1 ClCCCCCC=O 1P006UWS [0,1,1,0,0,0|1,0,0]=3 2104 B7R0.1 ICCCCCC=C 1P00KGQU [0,1,1,0,0,0|2,0,0]=4 2105 B7R0.1 NCCCCCC=C 1P01BBBF [0,1,1,0,0,0|2,0,0]=4 2106 B7R0.1 NCCCSCCO 1P027U19 [0,1,1,0,0,0|1,0,1]=4 2107 B7R0.1 NCCOCCC=C 1P01A3AG [0,1,1,0,0,0|1,1,0]=4 2108 B7R0.1 NCCSCCC=C 1P01B5I1 [0,1,1,0,0,0|1,0,0]=3 2109 B7R0.1 NCCSCCCO 1P01ABKL [0,1,1,0,0,0|0,0,2]=4 2110 B7R0.1 O=CCCCC#CC 1P019SA2 [0,1,1,0,0,0|1,0,1]=4 2111 B7R0.1 O=CCCCCC#C 1P0064P4 [0,1,1,0,0,0|1,0,1]=4 2112 B7R0.1 O=CCCCCC=O 1P008Y3A [0,1,1,0,0,0|1,0,1]=4 2113 B7R0.1 O=CCCCOCC 1P0281KP [0,1,1,0,0,0|0,1,0]=3 2114 B7R0.1 OCCCCCC=C 1P003NOS [0,1,1,0,0,0|2,0,0]=4 2115 B7R0.1 OCCCCCC=O 1P00CLL5 [0,1,1,0,0,0|1,0,0]=3 2116 B7R0.1 OCCOCCC=C 1P01DUSW [0,1,1,0,0,0|1,1,0]=4 2117 B7R0.1 OCCSCCCO 1P01AHF7 [0,1,1,0,0,0|0,0,2]=4 2118 B7R0.1 SCCOCCC=C 1P0283S0 [0,1,1,0,0,0|1,1,0]=4 2119 B7R0.4 BrCCCCC(=O)C 1P0007J6 [0,1,1,0,0,0|2,0,0]=4 2120 B7R0.4 BrCCCCC(=O)Cl 1P003N20 [0,1,1,0,0,0|2,0,0]=4 2121 B7R0.4 BrCCCCC(=O)O 1P002J3W [0,1,1,0,0,0|2,0,0]=4 2122 B7R0.4 BrCCCCC(=O)[O-] 1P00ERAQ [0,1,1,0,0,0|2,0,0]=4 2123 B7R0.4 C=CCCCC(N)C 1P01A557 [0,1,1,0,0,0|2,0,0]=4 2124 B7R0.4 C=CCCCC(O)C 1P00BJLZ [0,1,1,0,0,0|2,0,0]=4 2125 B7R0.4 CC#CCCC(=O)O 1P00CIJW [0,1,1,0,0,0|1,0,1]=4 2126 B7R0.4 CCC#CCC(=O)O 1P00269H [0,1,1,0,0,0|1,0,1]=4 2127 B7R0.4 CCCCCC(=N)N 1P00J1UF [0,1,1,0,0,0|2,0,0]=4 2128 B7R0.4 CCCCCC(=N)N 1P028M17 [0,1,1,0,0,0|2,0,0]=4 2129 B7R0.4 CCCCCC(=O)C 1P0033SO [0,1,1,0,0,0|1,0,0]=3 2130 B7R0.4 CCCCCC(=O)Cl 1P003RDM [0,1,1,0,0,0|1,0,0]=3 2131 B7R0.4 CCCCCC(=O)N 1P003RDF [0,1,1,0,0,0|1,0,0]=3 2132 B7R0.4 CCCCCC(=O)O 1P0035GM [0,1,1,0,0,0|1,0,0]=3 2133 B7R0.4 CCCCCC(=O)[O-] 1P0002NZ [0,1,1,0,0,0|1,0,0]=3 2134 B7R0.4 CCCCCC(=S)N 1P001WHQ [0,1,1,0,0,0|1,1,0]=4 2135 B7R0.4 CCCCC[N+](=O)[O-] 1P00EG5W [0,1,1,0,0,0|2,0,0]=4 2136 B7R0.4 CCCCNC(=O)C 1P007VII [0,1,1,0,0,0|2,0,0]=4 2137 B7R0.4 CCCCNC(=O)Cl 1P00D7IO [0,1,1,0,0,0|2,0,0]=4 2138 B7R0.4 CCCCNC(=O)N 1P0035TZ [0,1,1,0,0,0|2,0,0]=4 2139 B7R0.4 CCCCOC(=O)C 1P000KEE [0,1,1,0,0,0|2,0,0]=4 2140 B7R0.4 CCCCOC(=O)N 1P003TBD [0,1,1,0,0,0|2,0,0]=4 2141 B7R0.4 CCCCSC(=O)C 1P003UQS [0,1,1,0,0,0|2,0,0]=4 2142 B7R0.4 CCCCSC(=O)Cl 1P001A84 [0,1,1,0,0,0|2,0,0]=4 2143 B7R0.4 CCCNCC(=O)N 1P01AM1O [0,1,1,0,0,0|2,0,0]=4 2144 B7R0.4 CCCNCC(=O)O 1P019WR9 [0,1,1,0,0,0|2,0,0]=4 2145 B7R0.4 CCCOCC(=O)O 1P00DDPU [0,1,1,0,0,0|2,0,0]=4 2146 B7R0.4 CCCSCC(=O)C 1P01CANS [0,1,1,0,0,0|2,0,0]=4 2147 B7R0.4 CCCSCC(=O)O 1P002AXA [0,1,1,0,0,0|2,0,0]=4 2148 B7R0.4 CCNCCC(=O)N 1P003IOR [0,1,1,0,0,0|1,0,0]=3 2149 B7R0.4 CCNCCC(=O)O 1P019WSK [0,1,1,0,0,0|1,0,0]=3 2150 B7R0.4 CCOCCC(=N)N 1P01ABN3 [0,1,1,0,0,0|1,1,0]=4 2151 B7R0.4 CCOCCC(=O)O 1P003JUP [0,1,1,0,0,0|0,1,0]=3 2152 B7R0.4 CCSCCC(=O)Cl 1P0286NR [0,1,1,0,0,0|0,0,0]=2 2153 B7R0.4 CCSCCC(=O)O 1P00FDIY [0,1,1,0,0,0|0,0,0]=2 2154 B7R0.4 CCSCCC(N)C 1P019TG8 [0,1,1,0,0,0|1,0,1]=4 2155 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [0,1,1,0,0,0|1,0,1]=4 2156 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [0,1,1,0,0,0|1,0,1]=4 2157 B7R0.4 CNCCCC(=O)O 1P0034AB [0,1,1,0,0,0|2,0,0]=4 2158 B7R0.4 CNCCCC(=O)O 1P007DUH [0,1,1,0,0,0|2,0,0]=4 2159 B7R0.4 COCCCC(=O)C 1P00B6HE [0,1,1,0,0,0|2,0,0]=4 2160 B7R0.4 COCCCC(=O)N 1P027LNZ [0,1,1,0,0,0|2,0,0]=4 2161 B7R0.4 COCCCC(=O)O 1P002VN5 [0,1,1,0,0,0|2,0,0]=4 2162 B7R0.4 CSCCCC(=O)Cl 1P0286K0 [0,1,1,0,0,0|2,0,0]=4 2163 B7R0.4 CSCCCC(=O)N 1P028VPN [0,1,1,0,0,0|2,0,0]=4 2164 B7R0.4 CSCCCC(=O)O 1P00MDZI [0,1,1,0,0,0|2,0,0]=4 2165 B7R0.4 CSSCCC(=O)O 1P0018IF [0,1,1,0,0,0|1,0,0]=3 2166 B7R0.4 ClCCCCC(=O)C 1P0007J5 [0,1,1,0,0,0|2,0,0]=4 2167 B7R0.4 ClCCCCC(=O)Cl 1P001PXW [0,1,1,0,0,0|2,0,0]=4 2168 B7R0.4 ClCCCCC(=O)N 1P019Y9G [0,1,1,0,0,0|2,0,0]=4 2169 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [0,1,1,0,0,0|2,0,0]=4 2170 B7R0.4 FCCCCC(=O)[O-] 1P02875F [0,1,1,0,0,0|2,0,0]=4 2171 B7R0.4 ICCCCC(=O)O 1P027L56 [0,1,1,0,0,0|2,0,0]=4 2172 B7R0.4 NCCCCC(=O)N 1P01A4SH [0,1,1,0,0,0|2,0,0]=4 2173 B7R0.4 NCCCCC(=O)O 1P00390H [0,1,1,0,0,0|2,0,0]=4 2174 B7R0.4 NCCCCC(=O)O 1P003MVH [0,1,1,0,0,0|2,0,0]=4 2175 B7R0.4 NCCCCC(=O)O 1P00HZV1 [0,1,1,0,0,0|2,0,0]=4 2176 B7R0.4 NCCCCC(=O)O 1P01FNTV [0,1,1,0,0,0|2,0,0]=4 2177 B7R0.4 O=C(N)CCNCC 1P01KEQK [0,1,1,0,0,0|1,0,0]=3 2178 B7R0.4 O=CCCC=C(C)C 1P008QPA [0,1,1,0,0,0|1,0,1]=4 2179 B7R0.4 O=CCCCC(=C)C 1P024PL7 [0,1,1,0,0,0|1,0,1]=4 2180 B7R0.4 OCCCCC(=O)C 1P00BGAI [0,1,1,0,0,0|2,0,0]=4 2181 B7R0.4 OCCCCC(=O)N 1P002ZKN [0,1,1,0,0,0|2,0,0]=4 2182 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [0,1,1,0,0,0|2,0,0]=4 2183 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [0,1,1,0,0,0|2,0,0]=4 2184 B7R0.4 SCCCCC(=O)O 1P002ZTK [0,1,1,0,0,0|2,0,0]=4 2185 B7R1.1 BrCC1=CCCC1 1P00FM0P [1,1,0,0,0,0|1,0,1]=4 2186 B7R1.1 BrCC1CCC=C1 1P00AXJ6 [1,1,0,0,0,0|1,0,1]=4 2187 B7R1.1 BrCC1CCCC1 1P003515 [1,1,0,0,0,0|1,0,1]=4 2188 B7R1.1 BrCC1CCCN1 1P00CKVT [1,1,0,0,0,0|1,0,1]=4 2189 B7R1.1 BrCC1CCCO1 1P000ITE [1,1,0,0,0,0|0,1,1]=4 2190 B7R1.1 BrCC1OCCO1 1P003P0S [1,1,0,0,0,0|1,1,0]=4 2191 B7R1.1 BrC[C@@H]1CCCN1 1P00DJPT [1,1,0,0,0,0|1,0,1]=4 2192 B7R1.1 BrC[C@@H]1CCCO1 1P01IM3G [1,1,0,0,0,0|0,1,1]=4 2193 B7R1.1 BrC[C@H]1CCCO1 1P00IUP9 [1,1,0,0,0,0|0,1,1]=4 2194 B7R1.1 Br\C=C\1/COCC1 1P028F30 [1,1,0,0,0,0|1,1,0]=4 2195 B7R1.1 C#CC1NCCS1 1P028DXJ [1,1,0,0,0,0|1,0,1]=4 2196 B7R1.1 C1CON=C1C=O 1P028L7B [1,1,0,0,0,0|1,1,0]=4 2197 B7R1.1 C1SCC=C1C=O 1P000A32 [1,1,0,0,0,0|0,0,1]=3 2198 B7R1.1 CCC1=CCCC1 1P003ER5 [1,1,0,0,0,0|1,0,1]=4 2199 B7R1.1 CCC1CCCC1 1P003QYP [1,1,0,0,0,0|1,0,1]=4 2200 B7R1.1 CCC1CCCN1 1P01AHO8 [1,1,0,0,0,0|1,0,1]=4 2201 B7R1.1 CCC1NCC=C1 1P008W14 [1,1,0,0,0,0|1,0,1]=4 2202 B7R1.1 CCC1NCC=C1 1P00J2F3 [1,1,0,0,0,0|1,0,1]=4 2203 B7R1.1 CC[C@@H]1CCCN1 1P00DIBN [1,1,0,0,0,0|1,0,1]=4 2204 B7R1.1 CC[C@H]1CCCN1 1P00EM15 [1,1,0,0,0,0|1,0,1]=4 2205 B7R1.1 CNC1=NCCS1 1P019WUF [1,1,0,0,0,0|1,0,1]=4 2206 B7R1.1 CNC1CCCC1 1P007NZ7 [1,1,0,0,0,0|1,0,1]=4 2207 B7R1.1 CNC1CCCC1 1P00G8LD [1,1,0,0,0,0|1,0,1]=4 2208 B7R1.1 CNC1CSCC1 1P019NX3 [1,1,0,0,0,0|1,0,1]=4 2209 B7R1.1 COC1=CCCC1 1P0094KJ [1,1,0,0,0,0|1,0,1]=4 2210 B7R1.1 COC1CCCC1 1P0035LM [1,1,0,0,0,0|1,0,1]=4 2211 B7R1.1 COC1CCCO1 1P003AIB [1,1,0,0,0,0|0,1,1]=4 2212 B7R1.1 COC1OCCO1 1P0033U4 [1,1,0,0,0,0|1,1,0]=4 2213 B7R1.1 CSC1=NCCS1 1P002CSS [1,1,0,0,0,0|1,0,1]=4 2214 B7R1.1 CSC1CCCC1 1P0069WS [1,1,0,0,0,0|1,0,1]=4 2215 B7R1.1 ClCC1CCCC1 1P009GZM [1,1,0,0,0,0|1,0,1]=4 2216 B7R1.1 ClCC1CCCO1 1P003V5P [1,1,0,0,0,0|0,1,1]=4 2217 B7R1.1 ClCC1OCCO1 1P00I5DA [1,1,0,0,0,0|1,1,0]=4 2218 B7R1.1 ClC[C@@H]1CCCN1 1P00CLBF [1,1,0,0,0,0|1,0,1]=4 2219 B7R1.1 FCC1CCCN1 1P01AN6Z [1,1,0,0,0,0|1,0,1]=4 2220 B7R1.1 FCC1NCC=C1 1P028UIS [1,1,0,0,0,0|1,0,1]=4 2221 B7R1.1 FC[C@@H]1CCCN1 1P0051XA [1,1,0,0,0,0|1,0,1]=4 2222 B7R1.1 FC[C@H]1CCCN1 1P00IF57 [1,1,0,0,0,0|1,0,1]=4 2223 B7R1.1 ICC1CCCC1 1P003RHG [1,1,0,0,0,0|1,0,1]=4 2224 B7R1.1 ICC1CCCO1 1P00EBHK [1,1,0,0,0,0|0,1,1]=4 2225 B7R1.1 N#CC1CSCC1 1P01BFAQ [1,1,0,0,0,0|1,0,1]=4 2226 B7R1.1 NCC1=CCCC1 1P01ACZ1 [1,1,0,0,0,0|1,0,1]=4 2227 B7R1.1 NCC1CCCC1 1P0036ET [1,1,0,0,0,0|1,0,1]=4 2228 B7R1.1 NCC1CCCC1 1P00IB6C [1,1,0,0,0,0|1,0,1]=4 2229 B7R1.1 NCC1CCCN1 1P00ECYN [1,1,0,0,0,0|1,0,1]=4 2230 B7R1.1 NCC1CCCO1 1P003IEL [1,1,0,0,0,0|0,1,1]=4 2231 B7R1.1 NCC1CCCO1 1P01B53G [1,1,0,0,0,0|0,1,1]=4 2232 B7R1.1 NCC1CSCC1 1P01BGMT [1,1,0,0,0,0|1,0,1]=4 2233 B7R1.1 NCC1OCCO1 1P003FFJ [1,1,0,0,0,0|1,1,0]=4 2234 B7R1.1 NCC1SCCS1 1P01B710 [1,1,0,0,0,0|1,0,0]=3 2235 B7R1.1 NC[C@@H]1CCCN1 1P003D4W [1,1,0,0,0,0|1,0,1]=4 2236 B7R1.1 NC[C@@H]1CCCN1 1P007H8F [1,1,0,0,0,0|1,0,1]=4 2237 B7R1.1 NC[C@@H]1CCCO1 1P003CYT [1,1,0,0,0,0|0,1,1]=4 2238 B7R1.1 NC[C@@H]1CCCO1 1P00C31K [1,1,0,0,0,0|0,1,1]=4 2239 B7R1.1 NC[C@H]1CCCN1 1P000PJG [1,1,0,0,0,0|1,0,1]=4 2240 B7R1.1 NC[C@H]1CCCO1 1P01APNK [1,1,0,0,0,0|0,1,1]=4 2241 B7R1.1 NNC1CSCC1 1P01BBL9 [1,1,0,0,0,0|1,0,1]=4 2242 B7R1.1 O=CC1=CCCC1 1P00EGML [1,1,0,0,0,0|1,0,1]=4 2243 B7R1.1 O=CC1CCCC1 1P00354L [1,1,0,0,0,0|1,0,1]=4 2244 B7R1.1 O=CC1CCCC1 1P0035E6 [1,1,0,0,0,0|1,0,1]=4 2245 B7R1.1 O=CC1COCC1 1P00G5BD [1,1,0,0,0,0|0,1,1]=4 2246 B7R1.1 O=CC1CSCC1 1P01BG6V [1,1,0,0,0,0|0,0,1]=3 2247 B7R1.1 O=CN1CCCC1 1P00BXTF [1,1,0,0,0,0|2,0,0]=4 2248 B7R1.1 O=NN1CCCC1 1P003F17 [1,1,0,0,0,0|2,0,0]=4 2249 B7R1.1 OCC1=CCCC1 1P00842I [1,1,0,0,0,0|1,0,1]=4 2250 B7R1.1 OCC1CCC=C1 1P0012O5 [1,1,0,0,0,0|1,0,1]=4 2251 B7R1.1 OCC1CCCC1 1P00354O [1,1,0,0,0,0|1,0,1]=4 2252 B7R1.1 OCC1CCCN1 1P00D8LK [1,1,0,0,0,0|1,0,1]=4 2253 B7R1.1 OCC1CCCO1 1P003V5N [1,1,0,0,0,0|0,1,1]=4 2254 B7R1.1 OCC1CCCS1 1P00D41W [1,1,0,0,0,0|0,0,1]=3 2255 B7R1.1 OCC1CSCC1 1P01A0OB [1,1,0,0,0,0|0,0,2]=4 2256 B7R1.1 OCC1NCC=C1 1P009E8W [1,1,0,0,0,0|1,0,1]=4 2257 B7R1.1 OCC1NCCS1 1P0281VP [1,1,0,0,0,0|1,0,0]=3 2258 B7R1.1 OCC1OCCO1 1P00EGQV [1,1,0,0,0,0|1,1,0]=4 2259 B7R1.1 OC[C@@H]1CCCN1 1P0032WM [1,1,0,0,0,0|1,0,1]=4 2260 B7R1.1 OC[C@@H]1CCCO1 1P0036G1 [1,1,0,0,0,0|0,1,1]=4 2261 B7R1.1 OC[C@H]1CCCN1 1P003CKM [1,1,0,0,0,0|1,0,1]=4 2262 B7R1.1 OC[C@H]1CCCN1 1P00ACI8 [1,1,0,0,0,0|1,0,1]=4 2263 B7R1.1 OC[C@H]1CCCO1 1P0032UH [1,1,0,0,0,0|0,1,1]=4 2264 B7R1.1 ON=C1CCCC1 1P000ITF [1,1,0,0,0,0|1,0,1]=4 2265 B7R1.1 SCC1=CCCC1 1P0283Z5 [1,1,0,0,0,0|1,0,1]=4 2266 B7R1.1 SCC1CCCC1 1P01AAKX [1,1,0,0,0,0|1,0,1]=4 2267 B7R1.1 SCC1CCCN1 1P028JI4 [1,1,0,0,0,0|1,0,1]=4 2268 B7R1.1 SCC1OCCO1 1P0289U9 [1,1,0,0,0,0|1,1,0]=4 2269 B7R1.1 SC[C@@H]1CCCN1 1P028CS9 [1,1,0,0,0,0|1,0,1]=4 2270 B7R1.1 SC[C@H]1CCCN1 1P028BMN [1,1,0,0,0,0|1,0,1]=4 2271 B7R1.1 SC[C@H]1CCCO1 1P028TPO [1,1,0,0,0,0|0,1,1]=4 2272 B7R1.2 BrC1=CC(=O)CC1 1P01DIGH [1,1,0,0,0,0|1,0,1]=4 2273 B7R1.2 C=C1CCC(=O)O1 1P0001BH [1,1,0,0,0,0|2,0,0]=4 2274 B7R1.2 CC1=CC(=O)CC1 1P002ULZ [1,1,0,0,0,0|1,0,1]=4 2275 B7R1.2 CC1C=CC(=O)S1 1P006AW5 [1,1,0,0,0,0|0,0,2]=4 2276 B7R1.2 CC1CC(=O)CN1 1P021X75 [1,1,0,0,0,0|1,0,0]=3 2277 B7R1.2 CC1CC(=O)CS1 1P019UCN [1,1,0,0,0,0|0,0,0]=2 2278 B7R1.2 CC1CC(=O)NC1 1P0039AR [1,1,0,0,0,0|2,0,0]=4 2279 B7R1.2 CC1CC(=O)OC1 1P00ARBT [1,1,0,0,0,0|2,0,0]=4 2280 B7R1.2 CC1CCC(=O)C1 1P0021LM [1,1,0,0,0,0|1,0,0]=3 2281 B7R1.2 CC1CCC(=O)N1 1P0034RL [1,1,0,0,0,0|2,0,0]=4 2282 B7R1.2 CC1CCC(=O)O1 1P0035FE [1,1,0,0,0,0|2,0,0]=4 2283 B7R1.2 CC1CCC(C1)Br 1P01AN9E [1,1,0,0,0,0|1,0,1]=4 2284 B7R1.2 CC1CCC(C1)Cl 1P01A5GG [1,1,0,0,0,0|1,0,1]=4 2285 B7R1.2 CC1CCC(C1)N 1P01A0I3 [1,1,0,0,0,0|1,0,1]=4 2286 B7R1.2 CC1CCC(C1)O 1P003K7U [1,1,0,0,0,0|1,0,1]=4 2287 B7R1.2 CC1CCC(N1)C 1P00EKIP [1,1,0,0,0,0|1,0,1]=4 2288 B7R1.2 CC1CCC(N1)C 1P00I749 [1,1,0,0,0,0|1,0,1]=4 2289 B7R1.2 CC1CCC(O1)C 1P0001ZC [1,1,0,0,0,0|0,1,1]=4 2290 B7R1.2 CC1NCC(C1)C 1P01AKTE [1,1,0,0,0,0|1,0,1]=4 2291 B7R1.2 CC1NNC(=O)C1 1P008YFX [1,1,0,0,0,0|2,0,0]=4 2292 B7R1.2 CC1OCC(O1)C 1P00CARO [1,1,0,0,0,0|1,1,0]=4 2293 B7R1.2 CN1CCC(=O)C1 1P00G7GN [1,1,0,0,0,0|1,0,0]=3 2294 B7R1.2 CN1CCC(=O)C1 1P00IC9G [1,1,0,0,0,0|1,0,0]=3 2295 B7R1.2 CN1CCC(=O)N1 1P0007PB [1,1,0,0,0,0|2,0,0]=4 2296 B7R1.2 C[C@@H]1CC(=O)CN1 1P024WZB [1,1,0,0,0,0|1,0,0]=3 2297 B7R1.2 C[C@@H]1CC(=O)CN1 1P028JFG [1,1,0,0,0,0|1,0,0]=3 2298 B7R1.2 C[C@@H]1CC(=O)NC1 1P002RUA [1,1,0,0,0,0|2,0,0]=4 2299 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [1,1,0,0,0,0|1,0,0]=3 2300 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [1,1,0,0,0,0|2,0,0]=4 2301 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [1,1,0,0,0,0|2,0,0]=4 2302 B7R1.2 C[C@@H]1CC[C@@H](N1)C 1P00ILRG [1,1,0,0,0,0|1,0,1]=4 2303 B7R1.2 C[C@@H]1CC[C@H](N1)C 1P00FEDI [1,1,0,0,0,0|1,0,1]=4 2304 B7R1.2 C[C@H]1CC(=O)CN1 1P024HQB [1,1,0,0,0,0|1,0,0]=3 2305 B7R1.2 C[C@H]1CC(=O)NC1 1P00I6FM [1,1,0,0,0,0|2,0,0]=4 2306 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [1,1,0,0,0,0|2,0,0]=4 2307 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [1,1,0,0,0,0|1,0,0]=3 2308 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [1,1,0,0,0,0|2,0,0]=4 2309 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [1,1,0,0,0,0|2,0,0]=4 2310 B7R1.2 C[C@H]1CC[C@@H](N1)C 1P01JJ1L [1,1,0,0,0,0|1,0,1]=4 2311 B7R1.2 ClC1=CC(=O)CC1 1P00DQD8 [1,1,0,0,0,0|1,0,1]=4 2312 B7R1.2 FC1CNC(C1)C 1P028IQM [1,1,0,0,0,0|1,0,1]=4 2313 B7R1.2 F[C@@H]1CN[C@@H](C1)C 1P00I3KD [1,1,0,0,0,0|1,0,1]=4 2314 B7R1.2 F[C@@H]1CN[C@H](C1)C 1P024HC5 [1,1,0,0,0,0|1,0,1]=4 2315 B7R1.2 F[C@H]1CN[C@@H](C1)C 1P01XIFO [1,1,0,0,0,0|1,0,1]=4 2316 B7R1.2 F[C@H]1CN[C@H](C1)C 1P024HJK [1,1,0,0,0,0|1,0,1]=4 2317 B7R1.2 IC1=CC(=O)CC1 1P00EZK7 [1,1,0,0,0,0|1,0,1]=4 2318 B7R1.2 NC1=CC(=O)CC1 1P002W78 [1,1,0,0,0,0|1,0,1]=4 2319 B7R1.2 NC1CC(=O)NC1 1P003AG1 [1,1,0,0,0,0|2,0,0]=4 2320 B7R1.2 NC1CC(=O)NC1 1P00H05Z [1,1,0,0,0,0|2,0,0]=4 2321 B7R1.2 NC1CC(=O)OC1 1P00A9OT [1,1,0,0,0,0|2,0,0]=4 2322 B7R1.2 NC1CCS(=O)C1 1P019SXH [1,1,0,0,0,0|2,0,0]=4 2323 B7R1.2 NC1COC(C1)C 1P00BBVZ [1,1,0,0,0,0|0,1,1]=4 2324 B7R1.2 NC1COC(C1)C 1P01C3CB [1,1,0,0,0,0|0,1,1]=4 2325 B7R1.2 NC1CSC(C1)C 1P01C3DZ [1,1,0,0,0,0|0,0,1]=3 2326 B7R1.2 N[C@@H]1CC(=O)NC1 1P0026U9 [1,1,0,0,0,0|2,0,0]=4 2327 B7R1.2 N[C@@H]1CC(=O)OC1 1P000I8A [1,1,0,0,0,0|2,0,0]=4 2328 B7R1.2 N[C@H]1CC(=O)NC1 1P00IL5T [1,1,0,0,0,0|2,0,0]=4 2329 B7R1.2 N[C@H]1CC(=O)OC1 1P000I8B [1,1,0,0,0,0|2,0,0]=4 2330 B7R1.2 O=C1CCC(=O)C1 1P003322 [1,1,0,0,0,0|1,0,0]=3 2331 B7R1.2 O=C1CCC(=O)N1 1P000KDP [1,1,0,0,0,0|2,0,0]=4 2332 B7R1.2 O=C1CCC(=O)O1 1P003636 [1,1,0,0,0,0|2,0,0]=4 2333 B7R1.2 O=C1CSC(=N1)N 1P003UH3 [1,1,0,0,0,0|1,0,1]=4 2334 B7R1.2 O=C1CSC(=N1)N 1P00BC7L [1,1,0,0,0,0|1,0,1]=4 2335 B7R1.2 O=C1CSC(=S)N1 1P001G6W [1,1,0,0,0,0|1,0,1]=4 2336 B7R1.2 O=C1NCC(=O)C1 1P00C7BV [1,1,0,0,0,0|1,0,1]=4 2337 B7R1.2 O=C1OCC(=O)C1 1P003V89 [1,1,0,0,0,0|0,1,1]=4 2338 B7R1.2 O=C1SCC(=O)N1 1P002M4B [1,1,0,0,0,0|1,0,1]=4 2339 B7R1.2 O=C1SCC(=O)[N-]1 1P019OCG [1,1,0,0,0,0|1,0,1]=4 2340 B7R1.2 OC1=CC(=O)CC1 1P00EEEL [1,1,0,0,0,0|1,0,1]=4 2341 B7R1.2 OC1C=CC(=O)C1 1P00EJSF [1,1,0,0,0,0|1,0,1]=4 2342 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [1,1,0,0,0,0|2,0,0]=4 2343 B7R1.2 OC1CC(=O)OC1 1P003BUD [1,1,0,0,0,0|2,0,0]=4 2344 B7R1.2 OC1CCC(=O)C1 1P0038LJ [1,1,0,0,0,0|1,0,0]=3 2345 B7R1.2 OC1CCC(=O)O1 1P01HSO8 [1,1,0,0,0,0|2,0,0]=4 2346 B7R1.2 OC1CNC(C1)C 1P01A1FZ [1,1,0,0,0,0|1,0,1]=4 2347 B7R1.2 OC1CNC(C1)C 1P01BD6F [1,1,0,0,0,0|1,0,1]=4 2348 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [1,1,0,0,0,0|2,0,0]=4 2349 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [1,1,0,0,0,0|2,0,0]=4 2350 B7R1.2 O[C@@H]1CN[C@@H](C1)C 1P00HC8F [1,1,0,0,0,0|1,0,1]=4 2351 B7R1.2 O[C@@H]1CN[C@H](C1)C 1P008ZIO [1,1,0,0,0,0|1,0,1]=4 2352 B7R1.2 O[C@H]1C=CC(=O)C1 1P00E9HE [1,1,0,0,0,0|1,0,1]=4 2353 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [1,1,0,0,0,0|2,0,0]=4 2354 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [1,1,0,0,0,0|2,0,0]=4 2355 B7R1.2 O[C@H]1CN[C@@H](C1)C 1P00GAJW [1,1,0,0,0,0|1,0,1]=4 2356 B7R1.2 O[C@H]1CN[C@H](C1)C 1P00ILSC [1,1,0,0,0,0|1,0,1]=4 2357 B7R1.14 BrP1(=O)CCCC1 1P028B8C [1,1,0,0,0,0|2,0,0]=4 2358 B7R1.14 CC1(Br)CCCC1 1P002C72 [1,1,0,0,0,0|1,0,1]=4 2359 B7R1.14 CC1(C)CCC=C1 1P00EVES [1,1,0,0,0,0|1,0,1]=4 2360 B7R1.14 CC1(C)CCCN1 1P00C8OS [1,1,0,0,0,0|1,0,1]=4 2361 B7R1.14 CC1(C)CCCN1 1P00EE9D [1,1,0,0,0,0|1,0,1]=4 2362 B7R1.14 CC1(C)NCC=C1 1P028N3A [1,1,0,0,0,0|1,0,1]=4 2363 B7R1.14 CC1(C)NCCO1 1P002ACS [1,1,0,0,0,0|1,1,0]=4 2364 B7R1.14 CC1(C)NCCS1 1P00I3FK [1,1,0,0,0,0|1,0,0]=3 2365 B7R1.14 CC1(C)OCC=C1 1P028SZ9 [1,1,0,0,0,0|0,1,1]=4 2366 B7R1.14 CC1(N)CCCC1 1P0006SW [1,1,0,0,0,0|1,0,1]=4 2367 B7R1.14 CC1(N)CSCC1 1P0285MP [1,1,0,0,0,0|1,0,1]=4 2368 B7R1.14 ClP1(=O)CCCC1 1P01HRPE [1,1,0,0,0,0|2,0,0]=4 2369 B7R1.14 N=S1(=O)CCCC1 1P00I9JP [1,1,0,0,0,0|2,0,0]=4 2370 B7R1.14 O=S1(=O)CCCC1 1P000R4N [1,1,0,0,0,0|2,0,0]=4 2371 B7R1.8 CC1CCC1CN 1P028C00 [0,1,0,0,1,0|1,0,1]=4 2372 B7R1.8 CCC1CCC1=O 1P008TOV [0,1,0,0,1,0|0,0,0]=2 2373 B7R1.8 CN1CCC1CN 1P00HV1P [0,1,0,0,1,0|2,0,0]=4 2374 B7R1.8 CN1CCC1CO 1P01BUP0 [0,1,0,0,1,0|2,0,0]=4 2375 B7R1.8 CN1CC[C@@H]1CO 1P01KA98 [0,1,0,0,1,0|2,0,0]=4 2376 B7R1.8 CN1CC[C@H]1CN 1P0201VZ [0,1,0,0,1,0|2,0,0]=4 2377 B7R1.8 CN1CC[C@H]1CO 1P000VWA [0,1,0,0,1,0|2,0,0]=4 2378 B7R1.8 CNC1CCC1C 1P027VP9 [0,1,0,0,1,0|1,0,1]=4 2379 B7R1.8 CNC1CNC1=O 1P028A60 [0,1,0,0,1,0|1,0,0]=3 2380 B7R1.8 CN[C@@H]1CC[C@H]1O 1P024O8G [0,1,0,0,1,0|0,0,2]=4 2381 B7R1.8 COC1CCC1=O 1P01JVE1 [0,1,0,0,1,0|0,0,0]=2 2382 B7R1.8 CO[C@@H]1CC[C@H]1Br 1P028K6J [0,1,0,0,1,0|1,0,1]=4 2383 B7R1.8 CO[C@@H]1CC[C@H]1O 1P0290K0 [0,1,0,0,1,0|0,0,2]=4 2384 B7R1.8 CO[C@H]1CC[C@@H]1N 1P01KAEY [0,1,0,0,1,0|1,0,1]=4 2385 B7R1.8 CO[C@H]1CC[C@H]1N 1P01KAG0 [0,1,0,0,1,0|1,0,1]=4 2386 B7R1.8 CSC1CCC1=O 1P01C4DE [0,1,0,0,1,0|0,0,0]=2 2387 B7R1.8 CSC1CCC1N 1P028EVO [0,1,0,0,1,0|1,0,1]=4 2388 B7R1.8 CSC1CCC1O 1P0285L2 [0,1,0,0,1,0|0,0,2]=4 2389 B7R1.8 C[C@@H]1CC[C@@H]1CBr 1P028YW2 [0,1,0,0,1,0|1,0,1]=4 2390 B7R1.8 C[C@@H]1CC[C@@H]1CO 1P029257 [0,1,0,0,1,0|0,0,2]=4 2391 B7R1.8 C[C@@H]1CC[C@H]1CN 1P027XY8 [0,1,0,0,1,0|1,0,1]=4 2392 B7R1.8 NCC1CCC1F 1P01FMQX [0,1,0,0,1,0|1,0,1]=4 2393 B7R1.8 NC[C@@H]1CCN1C 1P01XDF4 [0,1,0,0,1,0|2,0,0]=4 2394 B7R1.8 NC[C@@H]1CC[C@@H]1O 1P028HUW [0,1,0,0,1,0|0,0,2]=4 2395 B7R1.8 NC[C@@H]1CC[C@H]1O 1P028W6T [0,1,0,0,1,0|0,0,2]=4 2396 B7R1.8 NC[C@H]1CC[C@@H]1O 1P027WNT [0,1,0,0,1,0|0,0,2]=4 2397 B7R1.8 NC[C@H]1CC[C@H]1O 1P027WVA [0,1,0,0,1,0|0,0,2]=4 2398 B7R1.8 N[C@@H]1CC[C@@H]1CO 1P028PD3 [0,1,0,0,1,0|1,0,1]=4 2399 B7R1.8 N[C@@H]1CC[C@H]1CF 1P0209PB [0,1,0,0,1,0|1,0,1]=4 2400 B7R1.8 N[C@@H]1CC[C@H]1CO 1P028FJ7 [0,1,0,0,1,0|1,0,1]=4 2401 B7R1.8 OCC1CCC1=O 1P00I4ZH [0,1,0,0,1,0|0,0,0]=2 2402 B7R1.8 OCC1CCC1F 1P01DXWO [0,1,0,0,1,0|1,0,1]=4 2403 B7R1.8 OC[C@@H]1CC[C@H]1O 1P027UXG [0,1,0,0,1,0|0,0,2]=4 2404 B7R1.8 O[C@@H]1CC[C@@H]1CS 1P0284U2 [0,1,0,0,1,0|0,0,2]=4 2405 B7R1.8 O[C@@H]1CC[C@H]1CS 1P0284O0 [0,1,0,0,1,0|0,0,2]=4 2406 B7R1.15 CC1C(=O)CC1=O 1P01EIR4 [0,1,0,0,1,0|0,0,1]=3 2407 B7R1.15 CC1C(C)CC1=O 1P00CVG5 [0,1,0,0,1,0|0,0,0]=2 2408 B7R1.15 CC1C(O)CC1O 1P028A9J [0,1,0,0,1,0|0,0,2]=4 2409 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 1P01KA9U [0,1,0,0,1,0|2,0,0]=4 2410 B7R1.15 NC1CC(C1C)O 1P029168 [0,1,0,0,1,0|0,0,2]=4 2411 B7R1.17 BrC1CCC1(C)C 1P01DZL4 [0,1,0,0,1,0|1,0,1]=4 2412 B7R1.17 CC1CNS1(=O)=O 1P023OO8 [0,1,0,0,1,0|2,0,0]=4 2413 B7R1.17 NC1CCC1(C)C 1P01BBGB [0,1,0,0,1,0|1,0,1]=4 2414 B7R1.17 NC1CSC1(C)C 1P01B9OG [0,1,0,0,1,0|1,0,1]=4 2415 B7R1.17 N[C@@H]1CC[C@@]1(C)O 1P01C5KV [0,1,0,0,1,0|1,0,1]=4 2416 B7R1.17 N[C@@H]1CSC1(C)C 1P01C4T5 [0,1,0,0,1,0|1,0,1]=4 2417 B7R1.17 O=C1CCC1(Br)Br 1P01XFO2 [0,1,0,0,1,0|1,0,0]=3 2418 B7R1.17 O=C1CCC1(C)C 1P000PMW [0,1,0,0,1,0|0,0,0]=2 2419 B7R1.17 O=C1COC1(C)C 1P00ILW0 [0,1,0,0,1,0|0,1,0]=3 2420 B7R1.17 O=C1NCC1(C)C 1P005SY2 [0,1,0,0,1,0|1,0,0]=3 2421 B7R1.17 O=C1OCC1(C)C 1P00AEIM [0,1,0,0,1,0|1,0,0]=3 2422 B7R1.17 OC1CCC1(C)C 1P00ILQI [0,1,0,0,1,0|0,0,2]=4 2423 B9R1.2 BrCC1CCCC(=O)C1 1P028EEN [0,1,0,0,0,1|1,0,0]=3 2424 B9R1.2 BrCC1CCCC(=O)N1 1P0287UD [0,1,0,0,0,1|1,0,0]=3 2425 B9R1.2 BrCC1CCNC(=O)O1 1P027TRD [0,1,0,0,0,1|2,0,0]=4 2426 B9R1.2 BrC[C@H]1CCCC(=O)N1 1P028Z8G [0,1,0,0,0,1|1,0,0]=3 2427 B9R1.2 C#CC1CCCC(=O)C1 1P01B8SB [0,1,0,0,0,1|1,0,1]=4 2428 B9R1.2 C=CC1CCCC(=O)C1 1P001ZUS [0,1,0,0,0,1|1,0,1]=4 2429 B9R1.2 CCC1=CC(=O)CCC1 1P007CGG [0,1,0,0,0,1|1,0,1]=4 2430 B9R1.2 CCC1CC(=O)CCO1 1P00D327 [0,1,0,0,0,1|0,1,0]=3 2431 B9R1.2 CCC1CCCC(=O)C1 1P007OXD [0,1,0,0,0,1|1,0,0]=3 2432 B9R1.2 CCC1CCCC(=O)O1 1P007IBP [0,1,0,0,0,1|1,0,0]=3 2433 B9R1.2 CCC1CCNC(=O)C1 1P01BHCU [0,1,0,0,0,1|2,0,0]=4 2434 B9R1.2 CCC1CNCC(=O)N1 1P027X50 [0,1,0,0,0,1|2,0,0]=4 2435 B9R1.2 CCC1COCC(=O)N1 1P008PA4 [0,1,0,0,0,1|2,0,0]=4 2436 B9R1.2 CCN1CCCC(=O)C1 1P00BZZV [0,1,0,0,0,1|2,0,0]=4 2437 B9R1.2 CNC1CCCC(=O)C1 1P027VLO [0,1,0,0,0,1|1,0,0]=3 2438 B9R1.2 COC1=CC(=O)CCC1 1P001Y8F [0,1,0,0,0,1|1,0,1]=4 2439 B9R1.2 COC1=NC(CCC1)C 1P01C376 [0,1,0,0,0,1|1,0,1]=4 2440 B9R1.2 COC1CCCC(=O)C1 1P0079W8 [0,1,0,0,0,1|1,0,0]=3 2441 B9R1.2 COC1CCCC(=O)N1 1P01BB4D [0,1,0,0,0,1|1,0,0]=3 2442 B9R1.2 CSC1=NCCC(=O)N1 1P0001MQ [0,1,0,0,0,1|1,0,1]=4 2443 B9R1.2 CSC1CCCC(=O)C1 1P01BFPY [0,1,0,0,0,1|1,0,0]=3 2444 B9R1.2 ClCC1CCCC(=O)C1 1P01C5LG [0,1,0,0,0,1|1,0,0]=3 2445 B9R1.2 ClCC1CCCC(=O)N1 1P01AJPC [0,1,0,0,0,1|1,0,0]=3 2446 B9R1.2 ICC1CCNC(=O)O1 1P02912Z [0,1,0,0,0,1|2,0,0]=4 2447 B9R1.2 N#CC1CCCC(=O)C1 1P0027RG [0,1,0,0,0,1|1,0,1]=4 2448 B9R1.2 N#CC1CCSC(C1)C 1P0286W7 [0,1,0,0,0,1|1,0,1]=4 2449 B9R1.2 NCC1CCCC(=O)N1 1P00HF9Q [0,1,0,0,0,1|1,0,0]=3 2450 B9R1.2 NCC1CCNC(=O)C1 1P001CGJ [0,1,0,0,0,1|2,0,0]=4 2451 B9R1.2 NCC1CCNC(=O)C1 1P00A305 [0,1,0,0,0,1|2,0,0]=4 2452 B9R1.2 NCC1CCNC(=O)C1 1P02874S [0,1,0,0,0,1|2,0,0]=4 2453 B9R1.2 NCC1CCSC(C1)C 1P028MM9 [0,1,0,0,0,1|1,0,1]=4 2454 B9R1.2 NC[C@H]1CCCC(=O)N1 1P01FKAV [0,1,0,0,0,1|1,0,0]=3 2455 B9R1.2 NC[C@H]1CCS[C@@H](C1)C 1P028MAJ [0,1,0,0,0,1|1,0,1]=4 2456 B9R1.2 O=C1N[C@@H](CC)CNC1 1P01KBCN [0,1,0,0,0,1|2,0,0]=4 2457 B9R1.2 O=CC1CCCC(C1)C 1P000VEJ [0,1,0,0,0,1|1,0,1]=4 2458 B9R1.2 O=CC1CCOC(C1)C 1P01A5EP [0,1,0,0,0,1|0,1,1]=4 2459 B9R1.2 O=NN1CCOC(C1)C 1P008PLI [0,1,0,0,0,1|1,1,0]=4 2460 B9R1.2 OCC1CC(=O)CCO1 1P0222X2 [0,1,0,0,0,1|0,1,0]=3 2461 B9R1.2 OCC1CCCC(=O)N1 1P00203X [0,1,0,0,0,1|1,0,0]=3 2462 B9R1.2 OCC1CCNC(=O)C1 1P00E3Y5 [0,1,0,0,0,1|2,0,0]=4 2463 B9R1.2 OCC1CNCC(=O)N1 1P01B4N1 [0,1,0,0,0,1|2,0,0]=4 2464 B9R1.2 OCC1COCC(=O)N1 1P008ZWI [0,1,0,0,0,1|2,0,0]=4 2465 B9R1.2 OC[C@@H]1CCCC(=O)N1 1P000YT8 [0,1,0,0,0,1|1,0,0]=3 2466 B9R1.2 OC[C@@H]1CNCC(=O)N1 1P00CG5C [0,1,0,0,0,1|2,0,0]=4 2467 B9R1.2 OC[C@H]1CCCC(=O)N1 1P00734T [0,1,0,0,0,1|1,0,0]=3 2468 B9R1.2 OC[C@H]1COCC(=O)N1 1P01KKEK [0,1,0,0,0,1|2,0,0]=4 2469 B9R1.3 CC1=C(C)CCCC1=O 1P01RO8R [0,1,0,0,0,1|1,0,1]=4 2470 B9R1.3 CC1C(C)CCCC1=O 1P0080LX [0,1,0,0,0,1|1,0,0]=3 2471 B9R1.3 CC1C(C)NCCS1=O 1P01BHJH [0,1,0,0,0,1|2,0,0]=4 2472 B9R1.3 CC1CCNC(=O)C1N 1P019SHU [0,1,0,0,0,1|2,0,0]=4 2473 B9R1.3 CC1CNCC(=O)N1C 1P00G9JK [0,1,0,0,0,1|2,0,0]=4 2474 B9R1.3 CC1CNCC(=O)N1C 1P028J4O [0,1,0,0,0,1|2,0,0]=4 2475 B9R1.3 C[C@@H]1CNCC(=O)N1C 1P00J3BC [0,1,0,0,0,1|2,0,0]=4 2476 B9R1.3 C[C@H]1CNCC(=O)N1C 1P00J38T [0,1,0,0,0,1|2,0,0]=4 2477 B9R1.3 C[C@H]1[C@H](C)NCCC1=O 1P028Q67 [0,1,0,0,0,1|1,0,0]=3 2478 B9R1.3 O=C1C(Br)CCCC1=O 1P01AL4E [0,1,0,0,0,1|2,0,0]=4 2479 B9R1.3 O=C1CCOC(=C1O)C 1P01BU6F [0,1,0,0,0,1|0,1,1]=4 2480 B9R1.3 O=C1N(C)CCCC1=O 1P00325V [0,1,0,0,0,1|2,0,0]=4 2481 B9R1.34 CC1CC(=CC(=O)C1)C 1P007U39 [0,1,0,0,0,1|1,0,1]=4 2482 B9R1.34 CC1CC(=O)C=C(O1)C 1P01DW7M [0,1,0,0,0,1|0,1,1]=4 2483 B9R1.34 CC1CC(=O)CC(=O)C1 1P0037PP [0,1,0,0,0,1|1,0,1]=4 2484 B9R1.34 CC1CC(=O)CC(=O)N1 1P000J2F [0,1,0,0,0,1|1,0,1]=4 2485 B9R1.34 CC1CC(C)CC(=O)C1 1P002MYT [0,1,0,0,0,1|1,0,0]=3 2486 B9R1.34 CC1NC(C)CC(=O)C1 1P008UID [0,1,0,0,0,1|1,0,0]=3 2487 B9R1.34 CC1SC(C)CC(=O)C1 1P02841Q [0,1,0,0,0,1|0,0,0]=2 2488 B9R1.34 CC1SC(C)N=C(S1)C 1P008FJ7 [0,1,0,0,0,1|2,0,0]=4 2489 B9R1.34 C[C@@H]1C[C@H](C)NC(=O)C1 1P02902S [0,1,0,0,0,1|1,0,0]=3 2490 B9R1.34 C[C@@H]1N[C@H](C)CC(=O)C1 1P00IFA3 [0,1,0,0,0,1|1,0,0]=3 2491 B9R1.34 C[C@@H]1O[C@H](C)CC(=O)C1 1P001KYT [0,1,0,0,0,1|0,1,0]=3 2492 B9R1.34 C[C@@H]1S[C@H](C)CC(=O)C1 1P0290V6 [0,1,0,0,0,1|0,0,0]=2 2493 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 1P006SU4 [0,1,0,0,0,1|1,0,1]=4 2494 B9R1.34 NC1CC(C)NC(=O)C1 1P028H1Q [0,1,0,0,0,1|1,0,0]=3 2495 B9R1.34 NC1CC(C)SC(C1)C 1P0282GL [0,1,0,0,0,1|1,0,1]=4 2496 B9R1.34 O=C1CC(C)C=C(C1)C 1P01FM1C [0,1,0,0,0,1|1,0,1]=4 2497 B9R1.66 C=C1CCOC(C1)(C)C 1P01J872 [0,1,0,0,0,1|1,1,0]=4 2498 B9R1.66 CC1=NC(CCC1)(C)C 1P007C8Y [0,1,0,0,0,1|2,0,0]=4 2499 B9R1.66 CC1NCCS(=O)(=O)C1 1P01B1UN [0,1,0,0,0,1|2,0,0]=4 2500 B9R1.66 NC1CCSC(C1)(C)C 1P01EJY6 [0,1,0,0,0,1|1,0,1]=4 2501 B9R1.66 O=C1CCCC(C1)(C)C 1P0032R4 [0,1,0,0,0,1|1,0,0]=3 2502 B9R1.66 O=C1CCCC(N1)(C)C 1P019FAX [0,1,0,0,0,1|1,0,0]=3 2503 B9R1.66 O=C1CCCC(N1)(C)C 1P0286J6 [0,1,0,0,0,1|1,0,0]=3 2504 B9R1.66 O=C1CCCC(O1)(C)C 1P002S4V [0,1,0,0,0,1|1,0,0]=3 2505 B9R1.66 O=C1CCNC(C1)(C)C 1P000UTI [0,1,0,0,0,1|1,0,0]=3 2506 B9R1.66 O=C1CCOC(C1)(C)C 1P000J5L [0,1,0,0,0,1|0,1,0]=3 2507 B9R1.66 O=C1CNCC(N1)(C)C 1P01DX4T [0,1,0,0,0,1|2,0,0]=4 2508 B9R1.66 O=C1CNCC(N1)(C)C 1P021V89 [0,1,0,0,0,1|2,0,0]=4 2509 B9R1.66 O=C1COCC(C1)(C)C 1P008274 [0,1,0,0,0,1|2,0,0]=4 2510 B9R1.66 O=C1COCC(N1)(C)C 1P009XNQ [0,1,0,0,0,1|2,0,0]=4 2511 B9R1.66 O=C1NCCC(C1)(C)C 1P00E59D [0,1,0,0,0,1|2,0,0]=4 2512 B9R1.66 O=C1OCCC(C1)(C)O 1P003LZ1 [0,1,0,0,0,1|2,0,0]=4 2513 B9R1.66 O=S1CCNC(C1)(C)C 1P01ADNM [0,1,0,0,0,1|2,0,0]=4 2514 B9R1.69 CC1CCC(C(=O)C1)C 1P003GGK [0,1,0,0,0,1|1,0,0]=3 2515 B9R1.69 CC1CCC(C(=O)N1)C 1P01C5ML [0,1,0,0,0,1|1,0,0]=3 2516 B9R1.69 CC1CCC(C(=O)N1)N 1P01B90F [0,1,0,0,0,1|1,0,0]=3 2517 B9R1.69 CC1NC(=O)CCC1N 1P01B8LC [0,1,0,0,0,1|1,0,0]=3 2518 B9R1.69 CC1NCC(C(=O)C1)C 1P01DXNR [0,1,0,0,0,1|1,0,0]=3 2519 B9R1.69 C[C@@H]1CC[C@H](C(=O)N1)O 1P028EPQ [0,1,0,0,0,1|1,0,0]=3 2520 B9R1.69 C[C@@H]1CO[C@@H](C(=O)N1)C 1P02917A [0,1,0,0,0,1|2,0,0]=4 2521 B9R1.69 C[C@H]1CO[C@H](C(=O)N1)C 1P0290UL [0,1,0,0,0,1|2,0,0]=4 2522 B9R1.69 O=C1CCC(=O)N(C1)C 1P00D87A [0,1,0,0,0,1|2,0,0]=4 2523 B9R1.69 O=C1CCC(C(C1)C)C 1P003IZE [0,1,0,0,0,1|1,0,0]=3 2524 B9R1.69 O=C1CCN(C(C1)C)C 1P0012OU [0,1,0,0,0,1|1,0,0]=3 2525 B9R1.69 O=C1CNC(=O)C(N1)C 1P00F3SO [0,1,0,0,0,1|2,0,0]=4 2526 B9R1.69 O=C1CNC(=O)[C@@H](N1)C 1P00DBEA [0,1,0,0,0,1|2,0,0]=4 2527 B9R1.69 O=C1COC(=O)C(N1)C 1P01A115 [0,1,0,0,0,1|2,0,0]=4 2528 B9R1.69 O=C1COC(=O)C(O1)C 1P00PLCF [0,1,0,0,0,1|2,0,0]=4 2529 B9R1.15 BrCC1OCCNC1=O 1P01EMBW [0,1,0,0,0,1|0,1,0]=3 2530 B9R1.15 C1NCCC(=O)C1C#N 1P002FV1 [0,1,0,0,0,1|1,0,1]=4 2531 B9R1.15 C1NCCC(=O)C1C#N 1P009GUI [0,1,0,0,0,1|1,0,1]=4 2532 B9R1.15 C1OCCC(=O)C1C#N 1P019UL3 [0,1,0,0,0,1|0,1,1]=4 2533 B9R1.15 CCC1=CCCCC1=O 1P01DZQL [0,1,0,0,0,1|1,0,1]=4 2534 B9R1.15 CCC1CCCCC1=O 1P003HOA [0,1,0,0,0,1|1,0,0]=3 2535 B9R1.15 CCC1CCCNC1=O 1P001WKR [0,1,0,0,0,1|1,0,0]=3 2536 B9R1.15 CCC1CCCOC1=O 1P00CY9J [0,1,0,0,0,1|1,0,0]=3 2537 B9R1.15 CCC1CCOCC1=O 1P01DW0C [0,1,0,0,0,1|1,0,0]=3 2538 B9R1.15 CCC1COCCC1=O 1P00BHVG [0,1,0,0,0,1|0,1,0]=3 2539 B9R1.15 CCC1NCCCC1=O 1P000HTB [0,1,0,0,0,1|1,0,0]=3 2540 B9R1.15 CCC1NCCNC1=O 1P00GT34 [0,1,0,0,0,1|1,0,0]=3 2541 B9R1.15 CCC1NCCNC1=O 1P00J1KF [0,1,0,0,0,1|1,0,0]=3 2542 B9R1.15 CCC1SCCNC1=O 1P00J37D [0,1,0,0,0,1|0,0,0]=2 2543 B9R1.15 CCN1CCCNC1=O 1P00FDLU [0,1,0,0,0,1|2,0,0]=4 2544 B9R1.15 CCN1CCNCC1=O 1P00EA5J [0,1,0,0,0,1|2,0,0]=4 2545 B9R1.15 CCN1CCNCC1=O 1P00J1RN [0,1,0,0,0,1|2,0,0]=4 2546 B9R1.15 CNC1=CCCCC1=O 1P01E7HD [0,1,0,0,0,1|1,0,1]=4 2547 B9R1.15 CNC1CCCNC1=O 1P01AVH2 [0,1,0,0,0,1|1,0,0]=3 2548 B9R1.15 COC1=CCCCC1=O 1P00BI6Q [0,1,0,0,0,1|1,0,1]=4 2549 B9R1.15 COC1CCCCC1=O 1P003I0P [0,1,0,0,0,1|1,0,0]=3 2550 B9R1.15 COC1CCCNC1=O 1P002RFD [0,1,0,0,0,1|1,0,0]=3 2551 B9R1.15 COC1COCCC1=O 1P00EDID [0,1,0,0,0,1|0,1,0]=3 2552 B9R1.15 COC1OCCCC1=O 1P00KBQ7 [0,1,0,0,0,1|0,1,0]=3 2553 B9R1.15 CSC1CCCCC1=O 1P003FK8 [0,1,0,0,0,1|1,0,0]=3 2554 B9R1.15 ClCC1OCCNC1=O 1P01FIM0 [0,1,0,0,0,1|0,1,0]=3 2555 B9R1.15 ClCN1CCCCC1=O 1P01AJ01 [0,1,0,0,0,1|2,0,0]=4 2556 B9R1.15 N#CC1CCCCC1=O 1P00DD1V [0,1,0,0,0,1|1,0,1]=4 2557 B9R1.15 NCC1=C(C)OCCS1 1P028WVO [0,1,0,0,0,1|1,0,1]=4 2558 B9R1.15 NCC1CCCNC1=O 1P01A89Z [0,1,0,0,0,1|1,0,0]=3 2559 B9R1.15 O=CC1CCCCC1=O 1P000J0P [0,1,0,0,0,1|1,0,1]=4 2560 B9R1.15 O=NN1CCCCC1C 1P00FU7X [0,1,0,0,0,1|2,0,0]=4 2561 B9R1.15 O=NN1CCCC[C@@H]1C 1P00D39I [0,1,0,0,0,1|2,0,0]=4 2562 B9R1.15 O=NN1CCOCC1C 1P028RXZ [0,1,0,0,0,1|1,1,0]=4 2563 B9R1.15 OCC1=CCCCC1=O 1P01G1AG [0,1,0,0,0,1|1,0,1]=4 2564 B9R1.15 OCC1CCCCC1=O 1P00D9D9 [0,1,0,0,0,1|1,0,0]=3 2565 B9R1.15 OCC1CCCNC1=O 1P002RFF [0,1,0,0,0,1|1,0,0]=3 2566 B9R1.15 OCC1OCCNC1=O 1P01C2HV [0,1,0,0,0,1|0,1,0]=3 2567 B9R1.15 O\N=C/1\CCCCC1C 1P009RGJ [0,1,0,0,0,1|1,0,1]=4 2568 B9R1.40 CC1CCCNS1(=O)=O 1P01EJ7G [0,1,0,0,0,1|2,0,0]=4 2569 B9R1.40 CC1CNCCS1(=N)=O 1P028D68 [0,1,0,0,0,1|2,0,0]=4 2570 B9R1.40 CC1CNCCS1(=O)=O 1P01ACMF [0,1,0,0,0,1|2,0,0]=4 2571 B9R1.40 CC1NCCCS1(=O)=O 1P027X5R [0,1,0,0,0,1|2,0,0]=4 2572 B9R1.40 C[C@@H]1CNCCS1(=O)=O 1P01BRJH [0,1,0,0,0,1|2,0,0]=4 2573 B9R1.40 C[C@H]1CNCCS1(=O)=O 1P01C0KG [0,1,0,0,0,1|2,0,0]=4 2574 B9R1.40 O=C1C=CCCC1(C)C 1P01EBM9 [0,1,0,0,0,1|1,0,1]=4 2575 B9R1.40 O=C1CCCCC1(C)Br 1P01RLQS [0,1,0,0,0,1|1,0,0]=3 2576 B9R1.40 O=C1CCCCC1(C)C 1P000J0V [0,1,0,0,0,1|1,0,0]=3 2577 B9R1.40 O=C1CCCCC1(C)O 1P007CAM [0,1,0,0,0,1|1,0,0]=3 2578 B9R1.40 O=C1CCCCC1(F)F 1P00BITJ [0,1,0,0,0,1|2,0,0]=4 2579 B9R1.40 O=C1CCCOC1(C)C 1P01BY6N [0,1,0,0,0,1|0,1,0]=3 2580 B9R1.40 O=C1CCNCC1(C)C 1P003ITZ [0,1,0,0,0,1|1,0,0]=3 2581 B9R1.40 O=C1CCNCC1(F)F 1P009GXL [0,1,0,0,0,1|2,0,0]=4 2582 B9R1.40 O=C1CCNCC1(F)F 1P00HYHU [0,1,0,0,0,1|2,0,0]=4 2583 B9R1.40 O=C1CCOCC1(C)C 1P00EIVN [0,1,0,0,0,1|0,1,0]=3 2584 B9R1.40 O=C1NCCCC1(Br)Br 1P002ST8 [0,1,0,0,0,1|2,0,0]=4 2585 B9R1.40 O=C1NCCCC1(C)C 1P00C2FM [0,1,0,0,0,1|1,0,0]=3 2586 B9R1.40 O=C1NCCCC1(Cl)Cl 1P01UOUC [0,1,0,0,0,1|2,0,0]=4 2587 B9R1.40 O=C1NCCCC1(F)F 1P00HG0E [0,1,0,0,0,1|2,0,0]=4 2588 B9R1.40 O=C1NCCNC1(C)C 1P0039C5 [0,1,0,0,0,1|1,0,0]=3 2589 B9R1.40 O=C1NCCOC1(F)F 1P0284SC [0,1,0,0,0,1|1,1,0]=4 2590 B9R1.40 O=C1OCCNC1(C)C 1P01ANQQ [0,1,0,0,0,1|1,0,0]=3 2591 B9R1.40 O=C1OCCOC1(C)C 1P01B4X9 [0,1,0,0,0,1|0,1,0]=3 2592 B9R1.40 O=S1CCNCC1(C)C 1P019ZSO [0,1,0,0,0,1|2,0,0]=4 2593 B9R1.40 O=S1CCNCC1(C)C 1P028NAC [0,1,0,0,0,1|2,0,0]=4 2594 B9R1.14 OC[C@@H]1CCCN1C=O 1P01EWWO [0,2,0,0,0,0|2,0,0]=4 2595 B9R1.22 CCC1SC(=NC1=O)N 1P00JB39 [0,2,0,0,0,0|1,0,1]=4 2596 B9R1.22 CCN1CC(CC1=O)N 1P00J1VR [0,2,0,0,0,0|2,0,0]=4 2597 B9R1.22 CCN1CC(CC1=O)O 1P01A409 [0,2,0,0,0,0|2,0,0]=4 2598 B9R1.22 OCC1=CC(CC1=O)O 1P005Q0T [0,2,0,0,0,0|1,0,1]=4 2599 B9R1.24 ClCC1CCCS1(=O)=O 1P01B5M8 [0,2,0,0,0,0|2,0,0]=4 2600 B9R1.24 NCC1CCCS1(=O)=O 1P01C1TI [0,2,0,0,0,0|2,0,0]=4 2601 B9R1.24 NCC1CCSC1(C)C 1P01DVTM [0,2,0,0,0,0|1,0,1]=4 2602 B9R1.24 NCC1CCSC1(C)C 1P01FKCY [0,2,0,0,0,0|1,0,1]=4 2603 B9R1.24 O=CC1=CCSC1(C)C 1P01DX5S [0,2,0,0,0,0|0,0,1]=3 2604 B9R1.24 O=CC1CCCC1(C)C 1P027XRM [0,2,0,0,0,0|1,0,1]=4 2605 B9R1.24 O=CC1CCOC1(C)C 1P01AMGM [0,2,0,0,0,0|0,1,1]=4 2606 B9R1.24 O=CC1CCSC1(C)C 1P01DX5T [0,2,0,0,0,0|0,0,1]=3 2607 B9R1.24 OCC1=CCSC1(C)C 1P01DX5V [0,2,0,0,0,0|0,0,2]=4 2608 B9R1.24 OCC1CCCS1(=O)=O 1P01B2MB [0,2,0,0,0,0|2,0,0]=4 2609 B9R1.24 OCC1CCSC1(C)C 1P01DX5U [0,2,0,0,0,0|0,0,2]=4 2610 B9R1.27 CC1CCC(N1N=O)C 1P00DVUB [0,2,0,0,0,0|2,0,0]=4 2611 B9R1.27 CCC1C(=O)CCC1=O 1P0036GP [0,2,0,0,0,0|1,0,0]=3 2612 B9R1.27 CCN1C(=O)CCC1=O 1P002MSV [0,2,0,0,0,0|2,0,0]=4 2613 B9R1.27 OCN1C(=O)CCC1=O 1P006WC6 [0,2,0,0,0,0|2,0,0]=4 2614 B9R1.33 BrCCC1CCCC1=O 1P019U2G [0,2,0,0,0,0|1,0,0]=3 2615 B9R1.33 BrCCC1CCOC1=O 1P019ZFZ [0,2,0,0,0,0|2,0,0]=4 2616 B9R1.33 BrCCN1CCCC1=O 1P000E1B [0,2,0,0,0,0|2,0,0]=4 2617 B9R1.33 C#CCN1CCCC1=O 1P005WIJ [0,2,0,0,0,0|2,0,0]=4 2618 B9R1.33 C(C#C)C1CCNC1=O 1P028HTW [0,2,0,0,0,0|2,0,0]=4 2619 B9R1.33 C(C#C)C1CCOC1=O 1P02887Q [0,2,0,0,0,0|2,0,0]=4 2620 B9R1.33 C=CCC1CCCC1=O 1P01HDRU [0,2,0,0,0,0|1,0,0]=3 2621 B9R1.33 C=CCC1CCNC1=O 1P000A4J [0,2,0,0,0,0|2,0,0]=4 2622 B9R1.33 C=CCC1CCOC1=O 1P007GIM [0,2,0,0,0,0|2,0,0]=4 2623 B9R1.33 C=CCC1OCCC1=O 1P028DZJ [0,2,0,0,0,0|0,1,0]=3 2624 B9R1.33 C=CCN1CCCC1=O 1P00BDX6 [0,2,0,0,0,0|2,0,0]=4 2625 B9R1.33 CCCC1CCCC1=O 1P000J0L [0,2,0,0,0,0|1,0,0]=3 2626 B9R1.33 CCCC1CCNC1=O 1P027UUD [0,2,0,0,0,0|2,0,0]=4 2627 B9R1.33 CCNC1CCNC1=O 1P01B81E [0,2,0,0,0,0|2,0,0]=4 2628 B9R1.33 COCC1CCNC1=O 1P01WTD5 [0,2,0,0,0,0|2,0,0]=4 2629 B9R1.33 ClCCC1CCNC1=O 1P01ALZ2 [0,2,0,0,0,0|2,0,0]=4 2630 B9R1.33 ClCCN1CCCC1=O 1P00D9UJ [0,2,0,0,0,0|2,0,0]=4 2631 B9R1.33 FCCC1CCCC1=O 1P01BBFU [0,2,0,0,0,0|1,0,0]=3 2632 B9R1.33 N#CCC1CCCC1=C 1P028DWK [0,2,0,0,0,0|2,0,0]=4 2633 B9R1.33 N#CCN1CCCC1=O 1P00EM4T [0,2,0,0,0,0|2,0,0]=4 2634 B9R1.33 NCCC1CCNC1=O 1P028Z34 [0,2,0,0,0,0|2,0,0]=4 2635 B9R1.33 NCCN1CCCC1=O 1P00C2EL [0,2,0,0,0,0|2,0,0]=4 2636 B9R1.33 NCCN1CCCC1=O 1P00GUYO [0,2,0,0,0,0|2,0,0]=4 2637 B9R1.33 NCCN1CCCC1=O 1P00J1MT [0,2,0,0,0,0|2,0,0]=4 2638 B9R1.33 O=CCC1CCOC1=O 1P028G5I [0,2,0,0,0,0|2,0,0]=4 2639 B9R1.33 OCCC1CCNC1=O 1P01ALNF [0,2,0,0,0,0|2,0,0]=4 2640 B9R1.33 OCCC1CCOC1=O 1P019KYT [0,2,0,0,0,0|2,0,0]=4 2641 B9R1.33 OCCN1CCCC1=O 1P003SQ8 [0,2,0,0,0,0|2,0,0]=4 2642 B9R1.41 CC(=O)C1CCCC1=O 1P003GS4 [0,2,0,0,0,0|1,0,0]=3 2643 B9R1.41 CC(=O)C1CCOC1=O 1P0033JB [0,2,0,0,0,0|2,0,0]=4 2644 B9R1.41 CC(=O)C1CCOC1C 1P028OOD [0,2,0,0,0,0|0,1,1]=4 2645 B9R1.41 CC(=O)N1CCCC1=O 1P003ED1 [0,2,0,0,0,0|2,0,0]=4 2646 B9R1.41 CC(C1CCCC1=O)C 1P001LEN [0,2,0,0,0,0|1,0,0]=3 2647 B9R1.41 CC(C1CCNC1=O)C 1P01B7FY [0,2,0,0,0,0|2,0,0]=4 2648 B9R1.41 CC([C@H]1CCCC1=O)C 1P028E8S [0,2,0,0,0,0|1,0,0]=3 2649 B9R1.41 CC1=C(CCC1)C(=O)C 1P00CZS8 [0,2,0,0,0,0|1,0,1]=4 2650 B9R1.41 CC1=C(CCC1)C(=O)O 1P005QP8 [0,2,0,0,0,0|1,0,1]=4 2651 B9R1.41 CC1=C(CCO1)C(=O)O 1P01DL2D [0,2,0,0,0,0|0,1,1]=4 2652 B9R1.41 CC1CCCC1C(=O)O 1P00DC0Z [0,2,0,0,0,0|1,0,1]=4 2653 B9R1.41 CC1CCCN1C(=O)C 1P01EIRL [0,2,0,0,0,0|2,0,0]=4 2654 B9R1.41 CC1CCCN1C(=O)Cl 1P01EN8D [0,2,0,0,0,0|2,0,0]=4 2655 B9R1.41 CC1NCCC1C(=O)O 1P01B9EQ [0,2,0,0,0,0|1,0,1]=4 2656 B9R1.41 CC1OCCC1C(=O)O 1P019YUS [0,2,0,0,0,0|0,1,1]=4 2657 B9R1.41 CN(C1CCCC1=O)C 1P01AMOP [0,2,0,0,0,0|1,0,0]=3 2658 B9R1.41 CN(C1CCNC1=O)C 1P01EM5N [0,2,0,0,0,0|2,0,0]=4 2659 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O 1P00IBDN [0,2,0,0,0,0|0,1,1]=4 2660 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O 1P01JUUK [0,2,0,0,0,0|1,0,1]=4 2661 B9R1.41 NC(=O)C1CCCC1=O 1P01E0BW [0,2,0,0,0,0|1,0,1]=4 2662 B9R1.132 CCN1CCC(C1=O)Br 1P00HC4I [0,2,0,0,0,0|2,0,0]=4 2663 B9R1.132 CCN1CCC(C1=O)N 1P01B9SK [0,2,0,0,0,0|2,0,0]=4 2664 B9R1.132 CCN1CCC(C1=O)N 1P01C0S1 [0,2,0,0,0,0|2,0,0]=4 2665 B9R1.132 CCN1OCC(C1=O)Br 1P01B1W4 [0,2,0,0,0,0|1,1,0]=4 2666 B9R1.132 CCN1OCC(C1=O)N 1P01DWMF [0,2,0,0,0,0|1,1,0]=4 2667 B9R1.132 CCN1OCC(C1=O)O 1P028KD8 [0,2,0,0,0,0|1,1,0]=4 2668 B9R1.132 CCN1OC[C@H](C1=O)N 1P01DIS6 [0,2,0,0,0,0|1,1,0]=4 2669 B9R1.132 CN1C(CBr)CCC1=O 1P01FMDW [0,2,0,0,0,0|2,0,0]=4 2670 B9R1.132 CN1C(CCC1=O)OC 1P005TAV [0,2,0,0,0,0|2,0,0]=4 2671 B9R1.132 CN1C(CCl)CCC1=O 1P01E0MV [0,2,0,0,0,0|2,0,0]=4 2672 B9R1.132 CN1C(CN)CCC1=O 1P00FDP2 [0,2,0,0,0,0|2,0,0]=4 2673 B9R1.132 CN1C(CO)CCC1=O 1P003AUL [0,2,0,0,0,0|2,0,0]=4 2674 B9R1.132 CN1CCC(C1=O)CBr 1P01C54T [0,2,0,0,0,0|2,0,0]=4 2675 B9R1.132 CN1CCC(C1=O)CN 1P01BKQL [0,2,0,0,0,0|2,0,0]=4 2676 B9R1.132 CN1CCC(C1=O)CN 1P01FMT9 [0,2,0,0,0,0|2,0,0]=4 2677 B9R1.132 CN1CCC(C1=O)CO 1P00ED71 [0,2,0,0,0,0|2,0,0]=4 2678 B9R1.132 CN1[C@@H](CO)CCC1=O 1P01JUJC [0,2,0,0,0,0|2,0,0]=4 2679 B9R1.132 CN1[C@H](CN)CCC1=O 1P01XH87 [0,2,0,0,0,0|2,0,0]=4 2680 B9R1.132 CN1[C@H](CO)CCC1=O 1P01JUJO [0,2,0,0,0,0|2,0,0]=4 2681 B9R1.132 CNC1CCN(C1=O)C 1P0198RB [0,2,0,0,0,0|2,0,0]=4 2682 B9R1.132 CNC1CCN(C1=O)C 1P01BAV2 [0,2,0,0,0,0|2,0,0]=4 2683 B9R1.132 CON1CCC(C1=O)Br 1P00HC4H [0,2,0,0,0,0|2,0,0]=4 2684 B9R1.132 NCC1CCC(=O)N1C 1P00J3VZ [0,2,0,0,0,0|2,0,0]=4 2685 B9R1.132 O=C1N(C)[C@@H](CN)CC1 1P01H8I5 [0,2,0,0,0,0|2,0,0]=4 2686 B9R1.132 O=CC1CCC(=O)N1C 1P01C3AG [0,2,0,0,0,0|2,0,0]=4 2687 B9R1.132 OCC1COC(=O)C1C 1P028Y4P [0,2,0,0,0,0|2,0,0]=4 2688 B9R1.202 CC1(CC)CCNC1=O 1P01C4VV [0,2,0,0,0,0|2,0,0]=4 2689 B9R1.202 CC1(CCNC1=O)C#N 1P00K2WF [0,2,0,0,0,0|2,0,0]=4 2690 B9R1.202 CC1(CN)CCNC1=O 1P028K4R [0,2,0,0,0,0|2,0,0]=4 2691 B9R1.202 CC1(CO)CCNC1=O 1P01BEX2 [0,2,0,0,0,0|2,0,0]=4 2692 B9R1.202 CCC1(C)CCCC1=O 1P01C6ZQ [0,2,0,0,0,0|1,0,0]=3 2693 B9R1.202 CCC1(N)CCNC1=O 1P028BGE [0,2,0,0,0,0|2,0,0]=4 2694 B9R1.202 ClCC1(C)CCCC1=O 1P01BDDS [0,2,0,0,0,0|1,0,0]=3 2695 B9R1.202 N#CC1(C)CCCC1=O 1P01H7OW [0,2,0,0,0,0|1,0,0]=3 2696 B9R1.23 BrCC1CC(=O)N(C1)C 1P00J3C4 [0,2,0,0,0,0|2,0,0]=4 2697 B9R1.23 CCC1NC(=O)C(C1)C 1P019TH7 [0,2,0,0,0,0|2,0,0]=4 2698 B9R1.23 CCN1CC(=O)C(C1)C 1P019ZJ2 [0,2,0,0,0,0|2,0,0]=4 2699 B9R1.23 C[C@@H]1C[C@@H](NC1=O)CO 1P028O09 [0,2,0,0,0,0|2,0,0]=4 2700 B9R1.23 C[C@H]1C[C@@H](NC1=O)CO 1P028NU2 [0,2,0,0,0,0|2,0,0]=4 2701 B9R1.23 ICC1CC(=O)N(C1)C 1P01JWKZ [0,2,0,0,0,0|2,0,0]=4 2702 B9R1.23 N#CC1CC(=O)N(C1)C 1P003EZ0 [0,2,0,0,0,0|2,0,0]=4 2703 B9R1.23 NCC1CC(=O)N(C1)C 1P00GW9U [0,2,0,0,0,0|2,0,0]=4 2704 B9R1.23 NC[C@H]1CC(=O)N(C1)C 1P0203BC [0,2,0,0,0,0|2,0,0]=4 2705 B9R1.23 OCC1CC(=O)N(C1)C 1P00EEB9 [0,2,0,0,0,0|2,0,0]=4 2706 B9R1.36 O=C1CC(CC1C)(C)C 1P003G21 [0,2,0,0,0,0|1,0,0]=3 2707 B9R1.36 O=C1CC(CC1O)(C)C 1P027XD4 [0,2,0,0,0,0|2,0,0]=4 2708 B9R1.36 O=C1NC(CC1C)(C)C 1P001KOW [0,2,0,0,0,0|2,0,0]=4 2709 B9R1.36 O=C1OC(CC1C)(C)C 1P002S4U [0,2,0,0,0,0|2,0,0]=4 2710 B9R1.37 CC1CC(=O)C(=O)C1C 1P003IZ3 [0,2,0,0,0,0|1,0,1]=4 2711 B9R1.37 CC1CC(C(=O)C1=O)C 1P003J4Y [0,2,0,0,0,0|1,0,1]=4 2712 B9R1.37 NC1CC(=O)N(C1=O)C 1P0060T0 [0,2,0,0,0,0|2,0,0]=4 2713 B9R1.37 NC1CC(=O)N(C1=O)C 1P019SFM [0,2,0,0,0,0|2,0,0]=4 2714 B9R1.37 O=C1CC(=O)C(N1C)C 1P00GAT9 [0,2,0,0,0,0|1,0,1]=4 2715 B9R1.37 OC1CC(=O)N(C1=O)C 1P002CLN [0,2,0,0,0,0|2,0,0]=4 2716 B9R1.37 OC1CC(=O)N(C1C)C 1P01BBLL [0,2,0,0,0,0|2,0,0]=4 2717 B9R1.37 O[C@H]1CC(=O)N(C1=O)C 1P003D4S [0,2,0,0,0,0|2,0,0]=4 2718 B9R1.38 CC1NC(=O)C(C1)(C)C 1P01DX7X [0,2,0,0,0,0|2,0,0]=4 2719 B9R1.38 CC1OC(=O)C(C1)(C)C 1P027UW7 [0,2,0,0,0,0|2,0,0]=4 2720 B9R1.38 C[C@@H]1NC(=O)C(C1)(C)C 1P028QZ2 [0,2,0,0,0,0|2,0,0]=4 2721 B9R1.38 C[C@H]1NC(=O)C(C1)(C)C 1P001OUG [0,2,0,0,0,0|2,0,0]=4 2722 B9R1.38 NC1=NC(=O)C(S1)(C)C 1P00DNDC [0,2,0,0,0,0|1,0,1]=4 2723 B9R1.38 O=C1CC(=O)C(C1)(C)C 1P00DVCO [0,2,0,0,0,0|1,0,1]=4 2724 B9R1.38 O=C1CC(=O)C(N1)(C)C 1P004309 [0,2,0,0,0,0|1,0,1]=4 2725 B9R1.38 O=C1NC(=O)C(S1)(C)C 1P007H6R [0,2,0,0,0,0|1,0,1]=4 2726 B9R1.106 CN1CCC(=O)C1(C)C 1P01BSB7 [0,2,0,0,0,0|1,0,0]=3 2727 B9R1.106 NC1CNC(=O)C1(C)C 1P001N4K [0,2,0,0,0,0|2,0,0]=4 2728 B9R1.106 N[C@H]1CNC(=O)C1(C)C 1P00ILP6 [0,2,0,0,0,0|2,0,0]=4 2729 B9R1.106 O=C1CCC(=O)C1(C)C 1P00CMDZ [0,2,0,0,0,0|1,0,0]=3 2730 B9R1.106 O=C1CCC(=O)C1(F)F 1P00HGQF [0,2,0,0,0,0|2,0,0]=4 2731 B9R1.106 O=C1NCC(=O)C1(C)C 1P00H84H [0,2,0,0,0,0|2,0,0]=4 2732 B9R1.106 O=C1OCC(=O)C1(C)C 1P00DVNX [0,2,0,0,0,0|2,0,0]=4 2733 B9R1.106 OC1CCC(=O)C1(C)C 1P028EBF [0,2,0,0,0,0|1,0,0]=3 2734 B9R1.106 OC1CNC(=O)C1(C)C 1P028DF1 [0,2,0,0,0,0|2,0,0]=4 2735 B9R1.138 ClC1CCC(C1=O)(C)C 1P01C3MU [0,2,0,0,0,0|1,0,0]=3 2736 B9R1.138 FC1CCC(C1=O)(C)C 1P01FJPC [0,2,0,0,0,0|1,0,0]=3 2737 B9R1.138 N[C@@H]1CCS(=O)(=O)[C@@H]1C 1P01BXXB [0,2,0,0,0,0|2,0,0]=4 2738 B7R1.3 BrC1=CCSCC1 1P000OBW [0,0,1,1,0,0|1,0,1]=4 2739 B7R1.3 BrC1CCSCC1 1P00I6LD [0,0,1,1,0,0|1,0,1]=4 2740 B7R1.3 C=C1CCCCC1 1P000PMZ [0,0,1,1,0,0|2,0,0]=4 2741 B7R1.3 C=C1CCNCC1 1P001JM6 [0,0,1,1,0,0|2,0,0]=4 2742 B7R1.3 C=C1CCOCC1 1P0078D5 [0,0,1,1,0,0|1,1,0]=4 2743 B7R1.3 CC1CCCC=C1 1P003K57 [0,0,1,1,0,0|2,0,0]=4 2744 B7R1.3 CC1CNCCS1 1P00D0KW [0,0,1,1,0,0|1,0,1]=4 2745 B7R1.3 CC1CNCCS1 1P028MMW [0,0,1,1,0,0|1,0,1]=4 2746 B7R1.3 CC1NCCCS1 1P028ZP5 [0,0,1,1,0,0|2,0,0]=4 2747 B7R1.3 CC1SCCCS1 1P003I1N [0,0,1,1,0,0|2,0,0]=4 2748 B7R1.3 IC1CCSCC1 1P00C2AL [0,0,1,1,0,0|1,0,1]=4 2749 B7R1.3 NC1CCSCC1 1P002NGW [0,0,1,1,0,0|1,0,1]=4 2750 B7R1.3 NC1CCSCC1 1P00C1QN [0,0,1,1,0,0|1,0,1]=4 2751 B7R1.3 NN1CCSCC1 1P00F0DQ [0,0,1,1,0,0|2,0,0]=4 2752 B7R1.3 O=C1CCCCN1 1P0033W9 [0,0,1,1,0,0|2,0,0]=4 2753 B7R1.3 O=C1CCCCO1 1P00IA55 [0,0,1,1,0,0|2,0,0]=4 2754 B7R1.3 O=C1CCCCS1 1P0001ZA [0,0,1,1,0,0|2,0,0]=4 2755 B7R1.3 O=C1CCCNC1 1P0037UG [0,0,1,1,0,0|2,0,0]=4 2756 B7R1.3 O=C1CCCNC1 1P024HTU [0,0,1,1,0,0|2,0,0]=4 2757 B7R1.3 O=C1CCCOC1 1P002NSO [0,0,1,1,0,0|2,0,0]=4 2758 B7R1.3 O=C1CCCSC1 1P002FDM [0,0,1,1,0,0|2,0,0]=4 2759 B7R1.3 O=C1CCNCC1 1P0034LQ [0,0,1,1,0,0|1,0,0]=3 2760 B7R1.3 O=C1CCNCC1 1P0036K5 [0,0,1,1,0,0|1,0,0]=3 2761 B7R1.3 O=C1CCNCC1 1P00BYCB [0,0,1,1,0,0|1,0,0]=3 2762 B7R1.3 O=C1CCOCC1 1P0034LC [0,0,1,1,0,0|0,1,0]=3 2763 B7R1.3 O=C1CCSCC1 1P003V5X [0,0,1,1,0,0|0,0,0]=2 2764 B7R1.3 O=S1CCNCC1 1P00G616 [0,0,1,1,0,0|2,0,0]=4 2765 B7R1.3 OC1CCSCC1 1P002ZKU [0,0,1,1,0,0|0,0,2]=4 2766 B7R1.3 S=C1CCCCC1 1P01G8O5 [0,0,1,1,0,0|1,1,0]=4 2767 B7R1.3 SC1CCSCC1 1P01EJ9C [0,0,1,1,0,0|0,1,1]=4 2768 B7R1.6 SCCC1CCC1 1P0291DM [0,0,1,1,0,0|1,0,1]=4 2769 B7R1.9 CCC1CC1C=O 1P02924W [0,0,1,1,0,0|1,0,0]=3 2770 B7R1.10 O=C[C@@H]1C[C@H](C1)F 1P028286 [0,0,1,1,0,0|2,0,0]=4 2771 B7R1.21 SCCC1(C)CC1 1P028ZT6 [0,0,1,1,0,0|1,0,1]=4 2772 B7R1.21 SCCC1(O)CC1 1P0285GQ [0,0,1,1,0,0|0,0,2]=4 2773 B7R1.22 BrCC(=O)C1CC1 1P0033LH [0,0,1,1,0,0|2,0,0]=4 2774 B7R1.22 CCC(=O)C1CC1 1P00FHR5 [0,0,1,1,0,0|1,0,0]=3 2775 B7R1.22 CNC(=O)C1CC1 1P0060X3 [0,0,1,1,0,0|2,0,0]=4 2776 B7R1.22 COC(=O)C1CC1 1P002WJH [0,0,1,1,0,0|2,0,0]=4 2777 B7R1.22 COC(=O)C1CN1 1P003SFZ [0,0,1,1,0,0|2,0,0]=4 2778 B7R1.22 COC(=O)C1CO1 1P0036AI [0,0,1,1,0,0|1,1,0]=4 2779 B7R1.22 COC(=O)[C@@H]1CO1 1P0035LP [0,0,1,1,0,0|1,1,0]=4 2780 B7R1.22 COC(=O)[C@H]1CO1 1P0035LN [0,0,1,1,0,0|1,1,0]=4 2781 B7R1.22 ClCC(=O)C1CC1 1P005KYK [0,0,1,1,0,0|2,0,0]=4 2782 B7R1.22 FCC(=O)C1CC1 1P00CZHZ [0,0,1,1,0,0|2,0,0]=4 2783 B7R1.22 NCC(=O)C1CC1 1P01A4QP [0,0,1,1,0,0|2,0,0]=4 2784 B7R1.22 OCC(=O)C1CC1 1P019ZQ5 [0,0,1,1,0,0|2,0,0]=4 2785 B7R1.25 O=CC1(C)CCC1 1P00IBY1 [0,0,1,1,0,0|1,0,0]=3 2786 B7R1.25 O=CC1(C)COC1 1P0065Y1 [0,0,1,1,0,0|2,0,0]=4 2787 B7R1.25 O=CC1(C)CSC1 1P01EMS4 [0,0,1,1,0,0|2,0,0]=4 2788 B7R1.27 CC1(CC1C)C=O 1P01BICJ [0,0,1,1,0,0|1,0,0]=3 2789 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1P0286F6 [0,0,1,1,0,0|2,0,0]=4 2790 B7R1.12 CC1CC1C(=O)C 1P01ALPC [0,0,1,1,0,0|1,0,0]=3 2791 B7R1.12 CC1CC1C(=O)Cl 1P00EII7 [0,0,1,1,0,0|2,0,0]=4 2792 B7R1.12 CC1CC1C(=O)N 1P00GA8W [0,0,1,1,0,0|2,0,0]=4 2793 B7R1.12 CC1CC1C(=O)O 1P002Z71 [0,0,1,1,0,0|2,0,0]=4 2794 B7R1.12 CC1CC1C(=O)O 1P00EK9C [0,0,1,1,0,0|2,0,0]=4 2795 B7R1.12 C[C@@H]1C[C@@H]1C(=O)C 1P028NP2 [0,0,1,1,0,0|1,0,0]=3 2796 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [0,0,1,1,0,0|2,0,0]=4 2797 B7R1.12 C[C@@H]1C[C@H]1C(=O)C 1P028MO8 [0,0,1,1,0,0|1,0,0]=3 2798 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [0,0,1,1,0,0|2,0,0]=4 2799 B7R1.12 C[C@H]1C[C@@H]1C(=O)C 1P028O3I [0,0,1,1,0,0|1,0,0]=3 2800 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [0,0,1,1,0,0|2,0,0]=4 2801 B7R1.12 C[C@H]1C[C@H]1C(=O)C 1P028FLW [0,0,1,1,0,0|1,0,0]=3 2802 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [0,0,1,1,0,0|2,0,0]=4 2803 B7R1.18 CC(=O)C1CCC1 1P003PKG [0,0,1,1,0,0|1,0,0]=3 2804 B7R1.18 CC(=O)C1CNC1 1P00A20O [0,0,1,1,0,0|2,0,0]=4 2805 B7R1.18 CC(=O)C1COC1 1P01DY8T [0,0,1,1,0,0|2,0,0]=4 2806 B7R1.18 CC(=O)C1CSC1 1P01E9GS [0,0,1,1,0,0|2,0,0]=4 2807 B7R1.18 CC(=O)N1CCC1 1P00DLB1 [0,0,1,1,0,0|2,0,0]=4 2808 B7R1.18 ClC(=O)C1CCC1 1P00353Y [0,0,1,1,0,0|2,0,0]=4 2809 B7R1.18 NC(=O)C1CCC1 1P001MYW [0,0,1,1,0,0|2,0,0]=4 2810 B7R1.18 NC(=O)C1CCN1 1P000VNK [0,0,1,1,0,0|2,0,0]=4 2811 B7R1.18 NC(=O)[C@@H]1CCN1 1P01G17Q [0,0,1,1,0,0|2,0,0]=4 2812 B7R1.18 OC(=O)C1CCC1 1P00353Z [0,0,1,1,0,0|2,0,0]=4 2813 B7R1.18 OC(=O)C1CCN1 1P002R80 [0,0,1,1,0,0|2,0,0]=4 2814 B7R1.18 OC(=O)C1CCO1 1P0036EM [0,0,1,1,0,0|1,1,0]=4 2815 B7R1.18 OC(=O)[C@@H]1CCN1 1P003827 [0,0,1,1,0,0|2,0,0]=4 2816 B7R1.18 OC(=O)[C@@H]1CCO1 1P01JUQJ [0,0,1,1,0,0|1,1,0]=4 2817 B7R1.18 OC(=O)[C@H]1CCN1 1P005DGN [0,0,1,1,0,0|2,0,0]=4 2818 B7R1.18 OC(=O)[C@H]1CCN1 1P00EIWE [0,0,1,1,0,0|2,0,0]=4 2819 B7R1.18 OC(=O)[C@H]1CCO1 1P01JUNT [0,0,1,1,0,0|1,1,0]=4 2820 B7R1.19 CC(=O)C1(Br)CC1 1P00EIF5 [0,0,1,1,0,0|2,0,0]=4 2821 B7R1.19 CC(=O)C1(C)CC1 1P001PDI [0,0,1,1,0,0|1,0,0]=3 2822 B7R1.19 CC(=O)C1(C)CO1 1P00DD7J [0,0,1,1,0,0|0,1,0]=3 2823 B7R1.19 CC(=O)C1(Cl)CC1 1P0039TS [0,0,1,1,0,0|2,0,0]=4 2824 B7R1.19 CC(=O)C1(F)CC1 1P00ELCH [0,0,1,1,0,0|2,0,0]=4 2825 B7R1.19 CC(=O)C1(N)CC1 1P01C30Z [0,0,1,1,0,0|2,0,0]=4 2826 B7R1.19 CC1(CO1)C(=O)O 1P003B26 [0,0,1,1,0,0|1,1,0]=4 2827 B7R1.19 ClC(=O)C1(C)CC1 1P0038FK [0,0,1,1,0,0|2,0,0]=4 2828 B7R1.19 NC(=O)C1(C)CC1 1P001QXO [0,0,1,1,0,0|2,0,0]=4 2829 B7R1.19 OC(=O)C1(C)CC1 1P003793 [0,0,1,1,0,0|2,0,0]=4 2830 B7R1.7 O=CCCC1CC1 1P00DKQ3 [0,0,1,1,0,0|1,0,0]=3 2831 B7R1.24 C1CCC=CCC1 1P003PL0 [0,0,1,1,0,0|2,0,0]=4 2832 B7R1.24 C1CNCCSC1 1P0004CX [0,0,1,1,0,0|1,0,1]=4 2833 B7R1.24 N1CCC=CCC1 1P009D3B [0,0,1,1,0,0|2,0,0]=4 2834 B7R2.11 C1NC2CC1C2 1P0039KV [1,0,0,1,0,0|1,0,1]=4 2835 B7R2.13 C1CC2C(N1)C2 1P00G7HL [1,0,0,1,0,0|1,0,1]=4 2836 B7R2.13 C1CN2[C@@H](C1)C2 1P028ZYC [1,0,0,1,0,0|1,0,1]=4 2837 B7R2.13 C1CN2[C@H](C1)C2 1P02901U [1,0,0,1,0,0|1,0,1]=4 2838 B9R2.8 O=C1CC2CC(C1)C2 1P01JUWJ [0,0,0,1,0,1|1,0,0]=3 2839 B9R2.8 O=C1CC2CC(N1)C2 1P028CW6 [0,0,0,1,0,1|1,0,0]=3 2840 B9R2.21 O=C1CCC2C(N1)C2 1P01XADD [0,0,0,1,0,1|1,0,0]=3 2841 B9R2.21 O=C1NCC2C(C1)C2 1P01DYS4 [0,0,0,1,0,1|2,0,0]=4 2842 B9R2.39 BrC1=CC2CC1CC2 1P005Y7J [0,0,0,1,0,1|2,0,0]=4 2843 B9R2.39 C1C2C=CC1NC2=O 1P0033L9 [0,0,0,1,0,1|1,0,1]=4 2844 B9R2.39 C1[C@@H]2C=C[C@H]1NC2=O 1P000VKL [0,0,0,1,0,1|1,0,1]=4 2845 B9R2.39 C1[C@H]2C=C[C@@H]1NC2=O 1P0036DF [0,0,0,1,0,1|1,0,1]=4 2846 B9R2.39 C=C1CC2CC1CC2 1P01GDS5 [0,0,0,1,0,1|2,0,0]=4 2847 B9R2.39 O=C1CC2CC1C=C2 1P006CL6 [0,0,0,1,0,1|1,0,1]=4 2848 B9R2.39 O=C1CC2CC1CN2 1P01JVHD [0,0,0,1,0,1|1,0,0]=3 2849 B9R2.39 O=C1CC2CC1OC2 1P028MXT [0,0,0,1,0,1|2,0,0]=4 2850 B9R2.39 O=C1CC2OC1CC2 1P01C1RJ [0,0,0,1,0,1|2,0,0]=4 2851 B9R2.39 O=C1CN2CC1CC2 1P000JPB [0,0,0,1,0,1|2,0,0]=4 2852 B9R2.39 O=C1C[C@@H]2C[C@H]1C=C2 1P01C3HO [0,0,0,1,0,1|1,0,1]=4 2853 B9R2.39 O=C1NC2CC1CC2 1P002PDQ [0,0,0,1,0,1|1,0,0]=3 2854 B9R2.39 O=C1NC2CC1NC2 1P027OYG [0,0,0,1,0,1|2,0,0]=4 2855 B9R2.39 O=C1N[C@@H]2C[C@H]1CC2 1P009B9C [0,0,0,1,0,1|1,0,0]=3 2856 B9R2.39 O=C1N[C@@H]2C[C@H]1NC2 1P027OK7 [0,0,0,1,0,1|2,0,0]=4 2857 B9R2.39 O=C1N[C@H]2C[C@@H]1CC2 1P01B9BU [0,0,0,1,0,1|1,0,0]=3 2858 B9R2.39 O=C1N[C@H]2C[C@@H]1NC2 1P00J3DV [0,0,0,1,0,1|2,0,0]=4 2859 B9R2.39 O=C1O[C@H]2C[C@@H]1NC2 1P008P01 [0,0,0,1,0,1|2,0,0]=4 2860 B9R2.39 O=S1C[C@@H]2C[C@H]1CN2 1P01C5UX [0,0,0,1,0,1|2,0,0]=4 2861 B9R2.109 O=C1CCCC2C1C2 1P00EPUV [0,0,0,1,0,1|1,0,0]=3 2862 B9R2.109 O=C1CCCC2C1O2 1P005RRW [0,0,0,1,0,1|2,0,0]=4 2863 B9R2.109 O=C1CCC[C@H]2[C@@H]1C2 1P01C447 [0,0,0,1,0,1|1,0,0]=3 2864 B9R2.109 O=C1COCC2C1C2 1P028T0V [0,0,0,1,0,1|2,0,0]=4 2865 B9R2.109 O=C1NCCC2C1C2 1P01P9DH [0,0,0,1,0,1|2,0,0]=4 2866 B9R2.19 O=C1CNC2CC1C2 1P027XWW [0,0,0,1,0,1|1,0,0]=3 2867 B9R2.19 O=C1NCC2CC1C2 1P01EM70 [0,0,0,1,0,1|1,0,0]=3 2868 B9R2.19 O=C1NCC2CC1N2 1P027OYV [0,0,0,1,0,1|1,0,0]=3 2869 B9R2.37 O=C1C[C@H]2[C@@H]([C@H]1Br)C2 1P028BLG [0,0,0,1,0,1|2,0,0]=4 2870 B9R2.37 O=C1[C@H](F)C[C@@H]2[C@H]1C2 1P028BX2 [0,0,0,1,0,1|2,0,0]=4 2871 B9R2.50 C1CSC2C(N1)CC2 1P01B6RF [0,0,0,1,0,1|1,0,1]=4 2872 B9R2.53 O=C1C2CNCC1C2 1P00IL7Q [0,0,0,1,0,1|1,0,0]=3 2873 B9R2.5 O=C1CCCC12CC2 1P00F07U [0,1,0,1,0,0|1,0,0]=3 2874 B9R2.5 O=C1NCCC12CC2 1P019E6G [0,1,0,1,0,0|2,0,0]=4 2875 B9R2.5 O=C1OCCC12CC2 1P00IBZA [0,1,0,1,0,0|2,0,0]=4 2876 B9R2.5 O=C1OCCC12CO2 1P005XHG [0,1,0,1,0,0|2,0,0]=4 2877 B9R2.20 O=C1CCC2C1C=C2 1P01G2UZ [0,1,0,1,0,0|1,0,1]=4 2878 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 1P028N1O [0,1,0,1,0,0|2,0,0]=4 2879 B9R2.20 O=C1OCC2C1CC2 1P028HEY [0,1,0,1,0,0|2,0,0]=4 2880 B9R2.24 O=C1C2CCC1CC2 1P0007A8 [0,1,0,1,0,0|1,0,0]=3 2881 B9R2.56 O=C[C@@]12CCC[C@@H]1C2 1P028WCB [0,1,0,1,0,0|1,0,1]=4 2882 B9R2.30 O=C1NC2CC1(C)C2 1P027WGY [0,1,0,1,0,0|2,0,0]=4 2883 B9R2.30 O=C1OC2CC1(C)C2 1P028BAB [0,1,0,1,0,0|2,0,0]=4 2884 B9R2.40 O=C1CC[C@@]2([C@H]1C2)C 1P028UJL [0,1,0,1,0,0|1,0,0]=3 2885 B5R1.2 BrC1=CCC1 1P028I74 [1,0,0,0,1,0|1,0,1]=4 2886 B5R1.2 BrC1CCC1 1P003540 [1,0,0,0,1,0|1,0,1]=4 2887 B5R1.2 C1CNC1=O 1P0033LA [1,0,0,0,1,0|1,0,0]=3 2888 B5R1.2 C1COC1=O 1P0037NQ [1,0,0,0,1,0|0,1,0]=3 2889 B5R1.2 C=C1CCC1 1P003SKK [1,0,0,0,1,0|1,0,0]=3 2890 B5R1.2 C=C1CNC1 1P01B63I [1,0,0,0,1,0|2,0,0]=4 2891 B5R1.2 C=C1COC1 1P01JVBI [1,0,0,0,1,0|1,1,0]=4 2892 B5R1.2 CC1CCN1 1P000GWL [1,0,0,0,1,0|1,0,0]=3 2893 B5R1.2 CC1CNC1 1P003K76 [1,0,0,0,1,0|1,0,1]=4 2894 B5R1.2 C[C@@H]1CCN1 1P01KAC0 [1,0,0,0,1,0|1,0,0]=3 2895 B5R1.2 C[C@H]1CCN1 1P01K3QZ [1,0,0,0,1,0|1,0,0]=3 2896 B5R1.2 ClC1CCC1 1P00HCSZ [1,0,0,0,1,0|1,0,1]=4 2897 B5R1.2 IC1CCC1 1P0079Q1 [1,0,0,0,1,0|1,0,1]=4 2898 B5R1.2 NC1CCC1 1P002R5Z [1,0,0,0,1,0|1,0,1]=4 2899 B5R1.2 NC1CCC1 1P003PKK [1,0,0,0,1,0|1,0,1]=4 2900 B5R1.2 NC1CSC1 1P000YWC [1,0,0,0,1,0|1,0,1]=4 2901 B5R1.2 NN1CCC1 1P01C0XA [1,0,0,0,1,0|2,0,0]=4 2902 B5R1.2 O=C1CCC1 1P000INX [1,0,0,0,1,0|0,0,0]=2 2903 B5R1.2 O=C1CNC1 1P0021IQ [1,0,0,0,1,0|1,0,0]=3 2904 B5R1.2 O=C1COC1 1P0036MN [1,0,0,0,1,0|0,1,0]=3 2905 B5R1.2 O=C1CSC1 1P003V8S [1,0,0,0,1,0|0,0,0]=2 2906 B5R1.2 O=S1CCC1 1P000ZTK [1,0,0,0,1,0|1,0,0]=3 2907 B5R1.2 OC1CCC1 1P002Y3Q [1,0,0,0,1,0|0,0,2]=4 2908 B5R1.2 OC1CSC1 1P007IKA [1,0,0,0,1,0|0,0,2]=4 2909 B5R1.2 SC1CCC1 1P00FNJK [1,0,0,0,1,0|0,1,1]=4 2910 B5R1.2 SC1CSC1 1P0291I0 [1,0,0,0,1,0|0,1,1]=4 2911 B5R1.4 CC1CC1Br 1P019STV [0,0,0,0,2,0|1,0,1]=4 2912 B5R1.4 CC1CC1I 1P028A9B [0,0,0,0,2,0|1,0,1]=4 2913 B5R1.4 CC1CC1N 1P00ICCM [0,0,0,0,2,0|1,0,1]=4 2914 B5R1.4 CC1CC1O 1P01E0DQ [0,0,0,0,2,0|0,0,2]=4 2915 B5R1.4 C[C@@H]1C[C@@H]1N 1P024TSQ [0,0,0,0,2,0|1,0,1]=4 2916 B5R1.4 C[C@@H]1C[C@H]1N 1P00IKE0 [0,0,0,0,2,0|1,0,1]=4 2917 B5R1.4 C[C@@H]1C[C@H]1O 1P028IRA [0,0,0,0,2,0|0,0,2]=4 2918 B9R1.48 CC1CCCCC(=O)N1 1P002C1H [0,0,0,0,0,2|1,0,0]=3 2919 B9R1.48 CC1CCCCC(=O)O1 1P006UKN [0,0,0,0,0,2|1,0,0]=3 2920 B9R1.48 CC1CNCCS(=O)C1 1P01BENJ [0,0,0,0,0,2|2,0,0]=4 2921 B9R1.48 CC1COCCC(=O)N1 1P01A06D [0,0,0,0,0,2|0,1,0]=3 2922 B9R1.48 CC1NCCNC(=O)C1 1P00IGPY [0,0,0,0,0,2|1,0,0]=3 2923 B9R1.48 CN1CCCNC(=O)C1 1P006X1N [0,0,0,0,0,2|2,0,0]=4 2924 B9R1.48 C[C@@H]1CCCOC(=O)C1 1P002E70 [0,0,0,0,0,2|1,0,0]=3 2925 B9R1.49 CC1CCCC(=O)CC1 1P01ALFG [0,0,0,0,0,2|1,0,0]=3 2926 B9R1.49 CC1CCNC(=O)CC1 1P00C2C9 [0,0,0,0,0,2|2,0,0]=4 2927 B9R1.49 CC1NCCS(=O)CC1 1P01BENL [0,0,0,0,0,2|2,0,0]=4 2928 B9R1.49 CN1CCCC(=O)CC1 1P002C56 [0,0,0,0,0,2|2,0,0]=4 2929 B9R1.49 CN1CCCC(=O)CC1 1P00ACFT [0,0,0,0,0,2|2,0,0]=4 2930 B9R1.49 NC1CCCC(=O)NC1 1P000ZGQ [0,0,0,0,0,2|2,0,0]=4 2931 B9R1.49 OC1CCCC(=O)NC1 1P000ZGL [0,0,0,0,0,2|2,0,0]=4 2932 B9R1.5 BrC1CCCCCC1=O 1P003H8G [0,0,0,0,0,2|2,0,0]=4 2933 B9R1.5 BrC1CCNCCC1=O 1P0057FO [0,0,0,0,0,2|2,0,0]=4 2934 B9R1.5 CC1CCCCCC1=O 1P01B1UZ [0,0,0,0,0,2|1,0,0]=3 2935 B9R1.5 CC1CCNCCC1=O 1P00HHI1 [0,0,0,0,0,2|1,0,0]=3 2936 B9R1.5 CC1CCNCCS1=O 1P01BEG5 [0,0,0,0,0,2|2,0,0]=4 2937 B9R1.5 CC1CCOCCC1=O 1P028VX6 [0,0,0,0,0,2|0,1,0]=3 2938 B9R1.5 CC1NCCCNC1=O 1P00BIA2 [0,0,0,0,0,2|1,0,0]=3 2939 B9R1.5 CN1CCCCCC1=O 1P0037XK [0,0,0,0,0,2|2,0,0]=4 2940 B9R1.5 CN1CCNCCC1=O 1P00AOOP [0,0,0,0,0,2|2,0,0]=4 2941 B9R1.5 CN1CCNCCC1=O 1P00CNLE [0,0,0,0,0,2|2,0,0]=4 2942 B9R1.5 CN1CCNCCC1=O 1P01B66W [0,0,0,0,0,2|2,0,0]=4 2943 B9R1.5 C[C@@H]1NCCCNC1=O 1P01BUK2 [0,0,0,0,0,2|1,0,0]=3 2944 B9R1.5 C[C@H]1NCCCNC1=O 1P0054XZ [0,0,0,0,0,2|1,0,0]=3 2945 B9R1.5 ClC1CCCCCC1=O 1P003HIR [0,0,0,0,0,2|2,0,0]=4 2946 B9R1.5 FC1CCCCCC1=O 1P01G5Z8 [0,0,0,0,0,2|2,0,0]=4 2947 B9R1.5 FC1CCNCCC1=O 1P00I1RW [0,0,0,0,0,2|2,0,0]=4 2948 B9R1.5 NC1CCCCCC1=O 1P01AMF1 [0,0,0,0,0,2|2,0,0]=4 2949 B9R1.5 O=C1CCCNCC1C 1P00IAJI [0,0,0,0,0,2|1,0,0]=3 2950 B9R1.5 O=C1CNCCCC1C 1P0290ML [0,0,0,0,0,2|1,0,0]=3 2951 B9R1.5 O=C1CNCCCN1C 1P00ELO8 [0,0,0,0,0,2|2,0,0]=4 2952 B9R1.5 O=C1CNCCCN1C 1P00FH76 [0,0,0,0,0,2|2,0,0]=4 2953 B9R1.5 O=C1NCCCCC1Br 1P00CMNE [0,0,0,0,0,2|2,0,0]=4 2954 B9R1.5 O=C1NCCCCC1C 1P002JFG [0,0,0,0,0,2|1,0,0]=3 2955 B9R1.5 O=C1NCCCCC1I 1P028L1Q [0,0,0,0,0,2|2,0,0]=4 2956 B9R1.5 O=C1NCCCCC1N 1P002YTR [0,0,0,0,0,2|2,0,0]=4 2957 B9R1.5 O=C1NCCCCC1N 1P003QA4 [0,0,0,0,0,2|2,0,0]=4 2958 B9R1.5 O=C1NCCCC[C@@H]1N 1P002S2B [0,0,0,0,0,2|2,0,0]=4 2959 B9R1.5 O=C1NCCCC[C@@H]1N 1P003D2E [0,0,0,0,0,2|2,0,0]=4 2960 B9R1.5 O=C1NCCCC[C@H]1N 1P002S2C [0,0,0,0,0,2|2,0,0]=4 2961 B9R1.5 O=C1NCCCC[C@H]1N 1P002VG3 [0,0,0,0,0,2|2,0,0]=4 2962 B9R1.5 O=C1NCCCOC1C 1P00I1SK [0,0,0,0,0,2|0,1,0]=3 2963 B9R1.5 O=C1NCCNCC1C 1P02025X [0,0,0,0,0,2|1,0,0]=3 2964 B9R1.5 O=C1NCCOCC1N 1P0288KS [0,0,0,0,0,2|1,1,0]=4 2965 B9R1.5 OC1CCCCCC1=O 1P023QLZ [0,0,0,0,0,2|2,0,0]=4