0 B9R1.11 BrCC(=O)C1CCCC1 1P00DBWM [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 BrCC(=O)N1CCCC1 1P00GZ4A [0,0,0,0,0,0|4,0,0]=4 2 B9R1.11 BrCC(=O)c1cccs1 1P003H2I [0,0,0,0,0,0|2,0,2]=4 3 B9R1.11 BrCC(=O)c1ccon1 1P01DX6N [0,0,0,0,0,0|3,0,1]=4 4 B9R1.11 BrCC(=O)c1nccs1 1P00BZYW [0,0,0,0,0,0|1,0,2]=3 5 B9R1.11 C=CC(=O)C1=CCCC1 1P01BCFC [0,0,0,0,0,0|2,0,2]=4 6 B9R1.11 CCC(=O)C1CCCC1 1P00FDHE [0,0,0,0,0,0|2,0,1]=3 7 B9R1.11 CCC(=O)C1COCC1 1P019SN3 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.11 CCC(=O)N1CNCC1 1P01C4KQ [0,0,0,0,0,0|4,0,0]=4 9 B9R1.11 CCC(=O)[C@@H]1CCCN1 1P01C2EY [0,0,0,0,0,0|1,0,2]=3 10 B9R1.11 CCC(=O)c1c[nH]nc1 1P01BA1Q [0,0,0,0,0,0|4,0,0]=4 11 B9R1.11 CCC(=O)c1cc[nH]n1 1P0282X4 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.11 CCC(=O)c1ccc[nH]1 1P003ID5 [0,0,0,0,0,0|1,0,3]=4 13 B9R1.11 CCC(=O)c1ccco1 1P003ID4 [0,0,0,0,0,0|1,1,2]=4 14 B9R1.11 CCC(=O)c1cccs1 1P0012U6 [0,0,0,0,0,0|1,0,2]=3 15 B9R1.11 CCC(=O)c1cnc[nH]1 1P00BHRO [0,0,0,0,0,0|2,0,2]=4 16 B9R1.11 CCC(=O)c1cnco1 1P028798 [0,0,0,0,0,0|2,1,1]=4 17 B9R1.11 CCC(=O)c1cocc1 1P00BHS8 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.11 CCC(=O)c1cocn1 1P028HDM [0,0,0,0,0,0|2,0,1]=3 19 B9R1.11 CCC(=O)c1ncc[nH]1 1P028BGR [0,0,0,0,0,0|1,0,2]=3 20 B9R1.11 CCC(=O)c1ncco1 1P028HER [0,0,0,0,0,0|0,1,2]=3 21 B9R1.11 CCC(=O)c1nccs1 1P003BQB [0,0,0,0,0,0|0,0,2]=2 22 B9R1.11 CCC(=O)c1nnc[nH]1 1P0287AH [0,0,0,0,0,0|2,0,1]=3 23 B9R1.11 CCC(C1=NCCS1)C 1P0033CF [0,0,0,0,0,0|1,0,1]=2 24 B9R1.11 CCC(c1nccs1)N 1P00DD9N [0,0,0,0,0,0|1,0,3]=4 25 B9R1.11 CCC(c1nccs1)N 1P00J1N8 [0,0,0,0,0,0|1,0,3]=4 26 B9R1.11 CCC(c1nccs1)N 1P0284QG [0,0,0,0,0,0|1,0,3]=4 27 B9R1.11 CCC(c1nccs1)O 1P0291G3 [0,0,0,0,0,0|0,0,4]=4 28 B9R1.11 CNC(=O)C1CCCC1 1P00DL2T [0,0,0,0,0,0|3,0,1]=4 29 B9R1.11 CNC(=O)C1CCCN1 1P019VH8 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00C66X [0,0,0,0,0,0|2,0,2]=4 31 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00DKAX [0,0,0,0,0,0|2,0,2]=4 32 B9R1.11 CNC(=O)[C@@H]1CCCO1 1P01A7H9 [0,0,0,0,0,0|2,1,1]=4 33 B9R1.11 CNC(=O)c1c[nH]cn1 1P00DGEC [0,0,0,0,0,0|3,0,1]=4 34 B9R1.11 CNC(=O)c1c[nH]nn1 1P0291B0 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.11 CNC(=O)c1cc[nH]n1 1P00JGME [0,0,0,0,0,0|3,0,1]=4 36 B9R1.11 CNC(=O)c1cccs1 1P00C8IU [0,0,0,0,0,0|2,0,2]=4 37 B9R1.11 COC(=O)C1=CCCC1 1P003S0X [0,0,0,0,0,0|3,0,0]=3 38 B9R1.11 COC(=O)C1=CCCO1 1P005HNO [0,0,0,0,0,0|2,1,0]=3 39 B9R1.11 COC(=O)C1=CCOC1 1P002XE9 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.11 COC(=O)C1=CCSC1 1P003S2J [0,0,0,0,0,0|4,0,0]=4 41 B9R1.11 COC(=O)C1=CSCC1 1P028QT6 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.11 COC(=O)C1=NOCC1 1P006Z2N [0,0,0,0,0,0|3,0,0]=3 43 B9R1.11 COC(=O)C1CCCC1 1P003973 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.11 COC(=O)C1CCCN1 1P00DFHC [0,0,0,0,0,0|2,0,2]=4 45 B9R1.11 COC(=O)C1CCCN1 1P00G418 [0,0,0,0,0,0|2,0,2]=4 46 B9R1.11 COC(=O)C1CCCO1 1P003SJB [0,0,0,0,0,0|2,1,1]=4 47 B9R1.11 COC(=O)C1CCSS1 1P028QBT [0,0,0,0,0,0|3,0,1]=4 48 B9R1.11 COC(=O)C1NCCS1 1P003SJE [0,0,0,0,0,0|1,0,2]=3 49 B9R1.11 COC(=O)C1SCC=C1 1P028CP7 [0,0,0,0,0,0|2,0,2]=4 50 B9R1.11 COC(=O)N1CCCC1 1P00EFZQ [0,0,0,0,0,0|4,0,0]=4 51 B9R1.11 COC(=O)[C@@H]1CCCN1 1P0039CV [0,0,0,0,0,0|2,0,2]=4 52 B9R1.11 COC(=O)[C@H]1CCCN1 1P003QCV [0,0,0,0,0,0|2,0,2]=4 53 B9R1.11 COC(=O)c1c[nH]cn1 1P0035OC [0,0,0,0,0,0|3,0,1]=4 54 B9R1.11 COC(=O)c1c[nH]nn1 1P0035LW [0,0,0,0,0,0|4,0,0]=4 55 B9R1.11 COC(=O)c1cc[nH]n1 1P003S12 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.11 COC(=O)c1cccs1 1P003SJG [0,0,0,0,0,0|2,0,2]=4 57 B9R1.11 COC(=O)c1ccns1 1P001QUW [0,0,0,0,0,0|3,0,1]=4 58 B9R1.11 COC(=O)c1ccon1 1P00BINX [0,0,0,0,0,0|3,0,1]=4 59 B9R1.11 COC(=O)c1ccsn1 1P01R884 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.11 COC(=O)c1cn[nH]n1 1P00H1HY [0,0,0,0,0,0|4,0,0]=4 61 B9R1.11 COC(=O)c1cncs1 1P001L74 [0,0,0,0,0,0|3,0,1]=4 62 B9R1.11 COC(=O)c1cnsn1 1P01B28S [0,0,0,0,0,0|4,0,0]=4 63 B9R1.11 COC(=O)c1cocn1 1P007UTI [0,0,0,0,0,0|3,0,1]=4 64 B9R1.11 COC(=O)c1cscn1 1P0035OH [0,0,0,0,0,0|3,0,1]=4 65 B9R1.11 COC(=O)c1csnn1 1P00778L [0,0,0,0,0,0|4,0,0]=4 66 B9R1.11 COC(=O)c1n[nH]cn1 1P003S08 [0,0,0,0,0,0|3,0,1]=4 67 B9R1.11 COC(=O)c1ncc[nH]1 1P001ZA3 [0,0,0,0,0,0|2,0,2]=4 68 B9R1.11 COC(=O)c1ncc[nH]1 1P01BVZR [0,0,0,0,0,0|2,0,2]=4 69 B9R1.11 COC(=O)c1ncco1 1P00CJ9J [0,0,0,0,0,0|1,1,2]=4 70 B9R1.11 COC(=O)c1nccs1 1P0035MY [0,0,0,0,0,0|1,0,2]=3 71 B9R1.11 COC(=O)c1nocn1 1P00J981 [0,0,0,0,0,0|3,0,1]=4 72 B9R1.11 ClCC(=O)C1CCCC1 1P00GYTR [0,0,0,0,0,0|3,0,1]=4 73 B9R1.11 ClCC(=O)C1CCCO1 1P001G9L [0,0,0,0,0,0|2,1,1]=4 74 B9R1.11 ClCC(=O)N1CCCC1 1P0028TW [0,0,0,0,0,0|4,0,0]=4 75 B9R1.11 ClCC(=O)c1cccs1 1P002ZKT [0,0,0,0,0,0|2,0,2]=4 76 B9R1.11 ClCC(=O)c1ccns1 1P01C5EK [0,0,0,0,0,0|3,0,1]=4 77 B9R1.11 ClCC(=O)c1ccon1 1P00H6X3 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.11 ClCC(=O)c1ccsn1 1P028FED [0,0,0,0,0,0|3,0,1]=4 79 B9R1.11 ClCC(=O)c1cncs1 1P028UK9 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.11 ClCC(=O)c1cocn1 1P009KJD [0,0,0,0,0,0|3,0,1]=4 81 B9R1.11 ClCC(=O)c1cscn1 1P00DTQP [0,0,0,0,0,0|3,0,1]=4 82 B9R1.11 ClCC(=O)c1csnn1 1P01DVYV [0,0,0,0,0,0|4,0,0]=4 83 B9R1.11 NCC(=C1CCCC1)F 1P028TT8 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.11 NCC(=O)C1CCCC1 1P01BXYG [0,0,0,0,0,0|3,0,1]=4 85 B9R1.11 NCC(=O)N1CCCC1 1P006XNO [0,0,0,0,0,0|4,0,0]=4 86 B9R1.11 NCC(=O)N1CCCC1 1P00C61Z [0,0,0,0,0,0|4,0,0]=4 87 B9R1.11 NCC(=O)N1CCCO1 1P01C50G [0,0,0,0,0,0|3,1,0]=4 88 B9R1.11 NCC(=O)c1ccsn1 1P027XBJ [0,0,0,0,0,0|3,0,1]=4 89 B9R1.11 NCC(=O)c1cscn1 1P028AIH [0,0,0,0,0,0|3,0,1]=4 90 B9R1.11 NCC(=O)c1nccs1 1P028BYG [0,0,0,0,0,0|1,0,2]=3 91 B9R1.11 NCC(=O)c1nccs1 1P028CE0 [0,0,0,0,0,0|1,0,2]=3 92 B9R1.11 NNC(=O)c1nccs1 1P001XS5 [0,0,0,0,0,0|2,0,2]=4 93 B9R1.11 OCC(=O)N1CCCC1 1P01ABJE [0,0,0,0,0,0|4,0,0]=4 94 B9R1.11 [NH3+]CC(=O)c1cccs1 1P00FI1W [0,0,0,0,0,0|2,0,2]=4 95 B8R1.7 CC(=C)C1=NCCO1 1P008X9F [1,0,0,0,0,0|1,1,0]=3 96 B8R1.7 CC(=O)C1=NCCS1 1P003GRI [1,0,0,0,0,0|0,0,0]=1 97 B8R1.7 CC(=O)C1CCCC1 1P00354R [1,0,0,0,0,0|2,0,1]=4 98 B8R1.7 CC(=O)C1CCCO1 1P00C4ID [1,0,0,0,0,0|1,1,1]=4 99 B8R1.7 CC(=O)C1NCCS1 1P002CHV [1,0,0,0,0,0|0,0,2]=3 100 B8R1.7 CC(=O)N1CCCC1 1P003EDH [1,0,0,0,0,0|3,0,0]=4 101 B8R1.7 CC(=O)N1CCCO1 1P0288ND [1,0,0,0,0,0|2,1,0]=4 102 B8R1.7 CC(=O)[C@@H]1CCCN1 1P00H3GI [1,0,0,0,0,0|1,0,2]=4 103 B8R1.7 CC(=O)[C@@H]1CCCO1 1P000WFC [1,0,0,0,0,0|1,1,1]=4 104 B8R1.7 CC(=O)c1c[nH]cn1 1P00EB8A [1,0,0,0,0,0|2,0,1]=4 105 B8R1.7 CC(=O)c1c[nH]nn1 1P01C1S8 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.7 CC(=O)c1cccs1 1P0035MZ [1,0,0,0,0,0|1,0,2]=4 107 B8R1.7 CC(=O)c1ccns1 1P00C067 [1,0,0,0,0,0|2,0,1]=4 108 B8R1.7 CC(=O)c1ccon1 1P00490X [1,0,0,0,0,0|2,0,1]=4 109 B8R1.7 CC(=O)c1ccsn1 1P00H14V [1,0,0,0,0,0|2,0,1]=4 110 B8R1.7 CC(=O)c1cncs1 1P00GT31 [1,0,0,0,0,0|2,0,1]=4 111 B8R1.7 CC(=O)c1cnns1 1P0080BZ [1,0,0,0,0,0|3,0,0]=4 112 B8R1.7 CC(=O)c1cocn1 1P00H3H6 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.7 CC(=O)c1cscn1 1P007BLA [1,0,0,0,0,0|2,0,1]=4 114 B8R1.7 CC(=O)c1ncc[nH]1 1P00D9MM [1,0,0,0,0,0|1,0,2]=4 115 B8R1.7 CC(=O)c1ncc[nH]1 1P01BDZZ [1,0,0,0,0,0|1,0,2]=4 116 B8R1.7 CC(=O)c1ncco1 1P005DFY [1,0,0,0,0,0|0,1,2]=4 117 B8R1.7 CC(=O)c1nccs1 1P003D8V [1,0,0,0,0,0|0,0,2]=3 118 B8R1.7 CC(=O)c1nnc[nH]1 1P00ADE4 [1,0,0,0,0,0|2,0,1]=4 119 B8R1.7 CC(C1=NCCN1)N 1P0289XC [1,0,0,0,0,0|2,0,1]=4 120 B8R1.7 CC(C1=NCCO1)C 1P003HY6 [1,0,0,0,0,0|1,1,1]=4 121 B8R1.7 NC(=O)c1nccs1 1P001XS6 [1,0,0,0,0,0|1,0,2]=4 122 B8R1.7 OC(=O)C1=CCCC1 1P001OVH [1,0,0,0,0,0|3,0,0]=4 123 B8R1.7 OC(=O)C1=CCCO1 1P018SRH [1,0,0,0,0,0|2,1,0]=4 124 B8R1.7 OC(=O)C1=CCCS1 1P01AJ4A [1,0,0,0,0,0|2,0,0]=3 125 B8R1.7 OC(=O)C1=NOCC1 1P01AG5J [1,0,0,0,0,0|3,0,0]=4 126 B8R1.7 OC(=O)C1CCCS1 1P00ARL8 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.7 OC(=O)C1NCCS1 1P001U81 [1,0,0,0,0,0|1,0,2]=4 128 B8R1.7 OC(=O)C1SCCS1 1P00DW6Q [1,0,0,0,0,0|2,0,1]=4 129 B8R1.7 OC(=O)c1nccs1 1P001HT7 [1,0,0,0,0,0|1,0,2]=4 130 B8R1.7 OC(=O)c1ncns1 1P00IMRS [1,0,0,0,0,0|2,0,1]=4 131 B8R1.7 [O-]C(=O)c1nncs1 1P01EKKT [1,0,0,0,0,0|2,0,1]=4 132 B8R1.8 CCC=C1CNCC1 1P01DW53 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.8 CCCC1=NCCN1 1P003IA8 [1,0,0,0,0,0|1,0,1]=3 134 B8R1.8 CCCC1=NCCO1 1P003KYP [1,0,0,0,0,0|0,1,1]=3 135 B8R1.8 CCCC1NCCS1 1P01AJ74 [1,0,0,0,0,0|0,0,3]=4 136 B8R1.8 CCCc1nccs1 1P00250A [1,0,0,0,0,0|0,0,3]=4 137 B8R1.8 CCNc1nccs1 1P009VZC [1,0,0,0,0,0|1,0,2]=4 138 B8R1.8 CCNc1nccs1 1P00IGOJ [1,0,0,0,0,0|1,0,2]=4 139 B8R1.8 CCNc1nncs1 1P0011KL [1,0,0,0,0,0|2,0,1]=4 140 B8R1.8 CCNc1nnns1 1P01C5YM [1,0,0,0,0,0|3,0,0]=4 141 B8R1.8 CCOc1nc[c-]s1 1P00D8GG [1,0,0,0,0,0|1,0,2]=4 142 B8R1.8 CCOc1nccs1 1P001PGN [1,0,0,0,0,0|1,0,2]=4 143 B8R1.8 N#CNC1=NCCS1 1P002TCG [1,0,0,0,0,0|2,0,1]=4 144 B10R1.11 BrCCC(=O)N1CCCC1 1P01DY4E [0,1,0,0,0,0|3,0,0]=4 145 B10R1.11 CCCC(=O)C1CCCC1 1P006NEI [0,1,0,0,0,0|2,0,1]=4 146 B10R1.11 CCCC(=O)c1cccs1 1P003I8J [0,1,0,0,0,0|1,0,2]=4 147 B10R1.11 CCNC(=O)[C@@H]1CCCN1 1P00ECNW [0,1,0,0,0,0|1,0,2]=4 148 B10R1.11 CCNC(=O)c1c[nH]nn1 1P01AG92 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.11 CCOC(=O)C1=CCCC1 1P0008IV [0,1,0,0,0,0|2,0,0]=3 150 B10R1.11 CCOC(=O)C1=CCNC1 1P024980 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.11 CCOC(=O)C1CCCC1 1P00DL7X [0,1,0,0,0,0|2,0,1]=4 152 B10R1.11 CCOC(=O)C1CCCN1 1P00EDE7 [0,1,0,0,0,0|1,0,2]=4 153 B10R1.11 CCOC(=O)C1CCCN1 1P01A52I [0,1,0,0,0,0|1,0,2]=4 154 B10R1.11 CCOC(=O)C1CCCO1 1P001YQF [0,1,0,0,0,0|1,1,1]=4 155 B10R1.11 CCOC(=O)C1SCCS1 1P002A2J [0,1,0,0,0,0|1,0,1]=3 156 B10R1.11 CCOC(=O)[C@@H]1CCCN1 1P00C6N9 [0,1,0,0,0,0|1,0,2]=4 157 B10R1.11 CCOC(=O)[C@H]1CCCN1 1P000WPX [0,1,0,0,0,0|1,0,2]=4 158 B10R1.11 CCOC(=O)[C@H]1CCCN1 1P01ACQS [0,1,0,0,0,0|1,0,2]=4 159 B10R1.11 CCOC(=O)c1c[nH]nn1 1P00397V [0,1,0,0,0,0|3,0,0]=4 160 B10R1.11 CCOC(=O)c1cc[nH]n1 1P002LCF [0,1,0,0,0,0|2,0,1]=4 161 B10R1.11 CCOC(=O)c1cccs1 1P003QM3 [0,1,0,0,0,0|1,0,2]=4 162 B10R1.11 CCOC(=O)c1ccon1 1P00C75R [0,1,0,0,0,0|2,0,1]=4 163 B10R1.11 CCOC(=O)c1cn[nH]n1 1P008ZL1 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.11 CCOC(=O)c1cncs1 1P007ITV [0,1,0,0,0,0|2,0,1]=4 165 B10R1.11 CCOC(=O)c1cncs1 1P01EKJQ [0,1,0,0,0,0|2,0,1]=4 166 B10R1.11 CCOC(=O)c1cnns1 1P00C97Z [0,1,0,0,0,0|3,0,0]=4 167 B10R1.11 CCOC(=O)c1cocn1 1P002MBM [0,1,0,0,0,0|2,0,1]=4 168 B10R1.11 CCOC(=O)c1cscn1 1P001L75 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.11 CCOC(=O)c1csnn1 1P003QGV [0,1,0,0,0,0|3,0,0]=4 170 B10R1.11 CCOC(=O)c1n[nH]cn1 1P00EKBH [0,1,0,0,0,0|2,0,1]=4 171 B10R1.11 CCOC(=O)c1ncc[nH]1 1P003QW4 [0,1,0,0,0,0|1,0,2]=4 172 B10R1.11 CCOC(=O)c1ncco1 1P0037UB [0,1,0,0,0,0|0,1,2]=4 173 B10R1.11 CCOC(=O)c1nccs1 1P001L76 [0,1,0,0,0,0|0,0,2]=3 174 B10R1.11 CCOC(=O)c1ncns1 1P00H3GM [0,1,0,0,0,0|1,0,1]=3 175 B10R1.11 CCOC(=O)c1nncs1 1P009KGY [0,1,0,0,0,0|1,0,1]=3 176 B10R1.11 CCOC(=O)c1nnn[nH]1 1P0037QP [0,1,0,0,0,0|3,0,0]=4 177 B10R1.11 CCOC(=O)c1nocn1 1P003QGW [0,1,0,0,0,0|2,0,1]=4 178 B10R1.11 CNCC(=O)N1CCCC1 1P00ABNA [0,1,0,0,0,0|3,0,0]=4 179 B10R1.11 CNCC(=O)N1CCCC1 1P01B73Y [0,1,0,0,0,0|3,0,0]=4 180 B10R1.11 COCC(=O)C1CCCC1 1P001MD6 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.11 COCC(=O)[C@@H]1CCCO1 1P028BK9 [0,1,0,0,0,0|1,1,1]=4 182 B10R1.11 ClCCC(=O)N1CCCC1 1P00EED7 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.11 ClCCC(=O)c1cccs1 1P00CBGQ [0,1,0,0,0,0|1,0,2]=4 184 B10R1.11 NCCC(=O)N1CCCC1 1P00FBLH [0,1,0,0,0,0|3,0,0]=4 185 B10R1.14 CCC(=O)N1CCC(C1)N 1P008IJX [0,1,0,0,0,0|3,0,0]=4 186 B10R1.14 CCC(=O)N1CCC(C1)O 1P01A0HY [0,1,0,0,0,0|3,0,0]=4 187 B10R1.14 CCC(=O)N1CC[C@@H](C1)N 1P01BNTH [0,1,0,0,0,0|3,0,0]=4 188 B10R1.14 CCC(=O)c1cc(on1)N 1P01ALJ4 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.14 CCC(=O)c1ccc(s1)Br 1P00C149 [0,1,0,0,0,0|1,0,2]=4 190 B10R1.14 CCC(=O)c1ccc(s1)C 1P00EE39 [0,1,0,0,0,0|1,0,2]=4 191 B10R1.14 CCC(=O)c1ccc(s1)Cl 1P007GM7 [0,1,0,0,0,0|1,0,2]=4 192 B10R1.14 CCC(=O)c1ccn(n1)C 1P01A4XD [0,1,0,0,0,0|2,0,1]=4 193 B10R1.14 CCC(=O)c1scc(n1)C 1P0012U5 [0,1,0,0,0,0|0,0,2]=3 194 B10R1.14 CNC(=O)c1ncc(s1)Br 1P01DN9Q [0,1,0,0,0,0|1,0,2]=4 195 B10R1.14 CNC(=O)c1nnc(s1)N 1P01BO42 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.14 COC(=O)C1=CC(CC1)N 1P028G0L [0,1,0,0,0,0|3,0,0]=4 197 B10R1.14 COC(=O)C1=CCC(C1)N 1P01BVLU [0,1,0,0,0,0|3,0,0]=4 198 B10R1.14 COC(=O)[C@@H]1C[C@@H](CS1)N 1P024H5L [0,1,0,0,0,0|2,0,1]=4 199 B10R1.14 COC(=O)c1nc(cs1)Br 1P00085F [0,1,0,0,0,0|1,0,2]=4 200 B10R1.14 COC(=O)c1nc(cs1)Cl 1P0249CB [0,1,0,0,0,0|1,0,2]=4 201 B10R1.14 COC(=O)c1ncc(s1)Br 1P008ZJD [0,1,0,0,0,0|1,0,2]=4 202 B10R1.14 COC(=O)c1ncc(s1)C 1P00G614 [0,1,0,0,0,0|1,0,2]=4 203 B10R1.14 COC(=O)c1ncc(s1)I 1P027U0R [0,1,0,0,0,0|1,0,2]=4 204 B10R1.14 COC(=O)c1ncc(s1)N 1P019GQN [0,1,0,0,0,0|1,0,2]=4 205 B10R1.14 COC(=O)c1nnc(s1)N 1P00BFRV [0,1,0,0,0,0|2,0,1]=4 206 B10R1.14 COC(=O)c1scc(n1)C 1P001DHO [0,1,0,0,0,0|1,0,2]=4 207 B10R1.14 COC(=O)c1snc(n1)C 1P00CMRE [0,1,0,0,0,0|2,0,1]=4 208 B10R1.23 CC(C(=O)N1CCCC1)Cl 1P005ESS [0,1,0,0,0,0|3,0,0]=4 209 B10R1.23 CC(C(=O)N1CCCC1)N 1P00BL8O [0,1,0,0,0,0|3,0,0]=4 210 B10R1.23 CC(C(=O)c1cccs1)Br 1P005AFP [0,1,0,0,0,0|1,0,2]=4 211 B10R1.23 CC(C(=O)c1cccs1)C 1P00C8SW [0,1,0,0,0,0|1,0,2]=4 212 B10R1.23 C[C@@H](C(=O)N1CCCC1)N 1P01BI7Q [0,1,0,0,0,0|3,0,0]=4 213 B10R1.23 C[C@@H](C(=O)N1CCCC1)O 1P0017BL [0,1,0,0,0,0|3,0,0]=4 214 B10R1.23 C[C@H](C(=O)N1CCCC1)N 1P0099Y2 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.23 C[C@H](C(=O)N1CCCC1)O 1P00AM2B [0,1,0,0,0,0|3,0,0]=4 216 B10R1.23 O=C(C1CCCN1)C(C)C 1P028PTO [0,1,0,0,0,0|1,0,2]=4 217 B10R1.149 CCC(=O)c1nccn1C 1P01A388 [0,1,0,0,0,0|1,0,2]=4 218 B10R1.149 CCC(=O)c1ncnn1C 1P007ISE [0,1,0,0,0,0|2,0,1]=4 219 B10R1.149 CCC(=O)c1sccc1Cl 1P01BICY [0,1,0,0,0,0|1,0,2]=4 220 B10R1.149 COC(=O)C1=C(N)CCC1 1P00DKK6 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.149 COC(=O)C1=CCCC1O 1P00CSTX [0,1,0,0,0,0|3,0,0]=4 222 B10R1.149 COC(=O)C1SCCC1=O 1P003S9Z [0,1,0,0,0,0|2,0,1]=4 223 B10R1.411 CCC(=O)C1(N)CCCC1 1P028JZS [0,1,0,0,0,0|2,0,1]=4 224 B8R0.3 CCCC(=C)C(=O)OC 1P0031HW [0,0,1,0,0,0|3,0,0]=4 225 B8R0.3 CCCC(=O)C(=O)OC 1P003S5T [0,0,1,0,0,0|2,1,0]=4 226 B8R0.3 CCCC(C(=O)CC)C 1P00ECOZ [0,0,1,0,0,0|2,0,1]=4 227 B8R0.3 CCOC(=O)C(=C)CC 1P0031HX [0,0,1,0,0,0|2,1,0]=4 228 B8R0.3 CCOC(=O)C(=O)CBr 1P0035CM [0,0,1,0,0,0|2,1,0]=4 229 B8R0.3 CCOC(=O)C(=O)CC 1P00ACBM [0,0,1,0,0,0|1,1,0]=3 230 B8R0.3 CCOC(=O)C(=O)NC 1P019FF9 [0,0,1,0,0,0|2,1,0]=4 231 B8R0.3 CO\N=C(\C(=O)OC)/Br 1P028QR9 [0,0,1,0,0,0|3,0,0]=4 232 B8R0.6 CCCCCC(=O)CC 1P003KB3 [0,0,1,0,0,0|2,0,1]=4 233 B8R0.6 CCCCNC(=O)CC 1P002Z7K [0,0,1,0,0,0|3,0,0]=4 234 B8R0.6 CCC\C=C\C(=O)OC 1P001ACY [0,0,1,0,0,0|3,0,0]=4 235 B8R0.6 COC(=O)CSCCN 1P01ABKJ [0,0,1,0,0,0|1,0,2]=4 236 B8R0.6 COC(=O)CSCCO 1P01EMTX [0,0,1,0,0,0|2,0,1]=4 237 B8R0.6 SCCCCC(=O)NC 1P027XJ9 [0,0,1,0,0,0|2,0,1]=4 238 B8R0.6 SCCCCC(=O)OC 1P005E7S [0,0,1,0,0,0|2,0,1]=4 239 B8R0.20 CCC(=O)N(CC)CC 1P003T0O [0,0,1,0,0,0|3,0,0]=4 240 B8R0.20 COC(=CC)C(=O)OC 1P00E7J7 [0,0,1,0,0,0|2,1,0]=4 241 B10R2.3 O=C1CCC12CCCC2 1P00I7VC [0,0,0,1,0,0|2,0,1]=4 242 B10R2.3 O=C1CCC12CCCO2 1P008CJN [0,0,0,1,0,0|1,1,1]=4 243 B10R2.32 O=C1CCC2=C1CCC2 1P01CAQQ [0,0,0,1,0,0|2,0,0]=3 244 B10R2.32 O=C1CCC2N1CCC2 1P01HH90 [0,0,0,1,0,0|3,0,0]=4 245 B10R2.32 O=C1CCN2C1CCC2 1P001HFD [0,0,0,1,0,0|1,0,2]=4 246 B10R2.32 O=C1CC[C@H]2[C@@H]1CCC2 1P01BUNG [0,0,0,1,0,0|2,0,1]=4 247 B10R2.32 O=C1CCc2c1scc2 1P00EDFL [0,0,0,1,0,0|1,0,2]=4 248 B10R2.32 O=C1CCn2c1ncc2 1P009QJN [0,0,0,1,0,0|1,0,2]=4 249 B10R2.178 O=C1CCC2CC1CC2 1P01C7OO [0,0,0,1,0,0|2,0,1]=4 250 B10R2.178 O=C1CCC2CC1OC2 1P0280K2 [0,0,0,1,0,0|1,1,1]=4 251 B10R2.178 O=C1CCC2NC1CC2 1P002DGY [0,0,0,1,0,0|1,0,2]=4 252 B10R2.178 O=C1CCC2OC1CC2 1P01C574 [0,0,0,1,0,0|1,1,1]=4 253 B10R2.178 O=C1CC[C@@H]2O[C@H]1OC2 1P01FQXP [0,0,0,1,0,0|1,1,1]=4 254 B8R1.38 BrCC(=O)C1CCC1 1P000YG8 [0,0,0,0,1,0|2,0,1]=4 255 B8R1.38 BrCC(=O)N1CCC1 1P0048VY [0,0,0,0,1,0|3,0,0]=4 256 B8R1.38 CCC(=O)C1CCC1 1P01ANG5 [0,0,0,0,1,0|1,0,1]=3 257 B8R1.38 CCC(=O)C1CCO1 1P0291NZ [0,0,0,0,1,0|0,1,1]=3 258 B8R1.38 CCC(=O)C1COC1 1P01DYFF [0,0,0,0,1,0|2,0,1]=4 259 B8R1.38 CNC(=O)C1CCN1 1P028LIJ [0,0,0,0,1,0|1,0,2]=4 260 B8R1.38 CNC(=O)C1CCN1 1P028M5A [0,0,0,0,1,0|1,0,2]=4 261 B8R1.38 CNC(=O)[C@@H]1CCN1 1P0280IZ [0,0,0,0,1,0|1,0,2]=4 262 B8R1.38 CNC(=O)[C@H]1CCN1 1P028H8L [0,0,0,0,1,0|1,0,2]=4 263 B8R1.38 COC(=O)C1=CCC1 1P00CT6K [0,0,0,0,1,0|2,0,0]=3 264 B8R1.38 COC(=O)C1CCC1 1P003SGL [0,0,0,0,1,0|2,0,1]=4 265 B8R1.38 COC(=O)C1CCN1 1P001TSO [0,0,0,0,1,0|1,0,2]=4 266 B8R1.38 COC(=O)C1CCO1 1P00BIND [0,0,0,0,1,0|1,1,1]=4 267 B8R1.38 COC(=O)[C@@H]1CCN1 1P005JMR [0,0,0,0,1,0|1,0,2]=4 268 B8R1.38 COC(=O)[C@@H]1CCN1 1P02867Y [0,0,0,0,1,0|1,0,2]=4 269 B8R1.38 COC(=O)[C@H]1CCN1 1P003APL [0,0,0,0,1,0|1,0,2]=4 270 B8R1.38 ClCC(=O)C1CCC1 1P00DTRW [0,0,0,0,1,0|2,0,1]=4 271 B8R1.38 ClCC(=O)N1CCC1 1P00EPVL [0,0,0,0,1,0|3,0,0]=4 272 B8R1.38 NCC(=C1CCC1)F 1P02892B [0,0,0,0,1,0|3,0,0]=4 273 B8R1.38 NCC(=O)C1CCC1 1P01EIRG [0,0,0,0,1,0|2,0,1]=4 274 B8R1.38 NCC(=O)N1CCC1 1P01JMHV [0,0,0,0,1,0|3,0,0]=4 275 B8R1.38 OCC(=C1CCC1)F 1P01EN86 [0,0,0,0,1,0|3,0,0]=4 276 B8R1.38 OCC(=O)N1CCC1 1P01DYWM [0,0,0,0,1,0|3,0,0]=4 277 B10R1.15 CCC(=O)C1CCCCC1 1P003PLS [0,0,0,0,0,1|2,0,1]=4 278 B10R1.15 CCC(=O)C1CCCCN1 1P01AII9 [0,0,0,0,0,1|1,0,2]=4 279 B10R1.15 CCC(=O)C1CCCCO1 1P01J953 [0,0,0,0,0,1|1,1,1]=4 280 B10R1.15 CCC(=O)C1CCCNC1 1P00J1MD [0,0,0,0,0,1|1,0,2]=4 281 B10R1.15 CCC(=O)C1CCCOC1 1P01BU18 [0,0,0,0,0,1|1,1,1]=4 282 B10R1.15 CCC(=O)C1CCNCC1 1P00H41T [0,0,0,0,0,1|2,0,1]=4 283 B10R1.15 CCC(=O)C1CCNCC1 1P00VVZE [0,0,0,0,0,1|2,0,1]=4 284 B10R1.15 CCC(=O)C1CCOCC1 1P008PWI [0,0,0,0,0,1|2,0,1]=4 285 B10R1.15 CCC(=O)N1CCCCO1 1P02907Z [0,0,0,0,0,1|2,1,0]=4 286 B10R1.15 CCC(=O)N1CCNCC1 1P005ULE [0,0,0,0,0,1|3,0,0]=4 287 B10R1.15 CCC(=O)N1CCNCC1 1P00VTP4 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.15 CCC(=O)N1CCOCC1 1P00318W [0,0,0,0,0,1|3,0,0]=4 289 B10R1.15 CCC(=O)c1ccccn1 1P0033WA [0,0,0,0,0,1|1,0,2]=4 290 B10R1.15 CCC(=O)c1cccnc1 1P003KCR [0,0,0,0,0,1|1,0,2]=4 291 B10R1.15 CCC(=O)c1ccnnc1 1P02219B [0,0,0,0,0,1|2,0,1]=4 292 B10R1.15 CCC(=O)c1cnccn1 1P00DLK1 [0,0,0,0,0,1|1,0,2]=4 293 B10R1.15 CCC(=O)c1cncnc1 1P01DX6H [0,0,0,0,0,1|2,0,1]=4 294 B10R1.15 CCC(=O)c1ncccn1 1P00E4VN [0,0,0,0,0,1|1,0,2]=4 295 B10R1.15 COC(=O)C1=CCCCC1 1P003S0W [0,0,0,0,0,1|3,0,0]=4 296 B10R1.15 COC(=O)C1=CCCNC1 1P00ADME [0,0,0,0,0,1|2,0,1]=4 297 B10R1.15 COC(=O)C1=CCCNC1 1P00IBEV [0,0,0,0,0,1|2,0,1]=4 298 B10R1.15 COC(=O)C1=CCCOC1 1P028PE7 [0,0,0,0,0,1|2,1,0]=4 299 B10R1.15 COC(=O)C1=CCNCC1 1P003S07 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.15 COC(=O)C1=CCOCC1 1P007FI6 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.15 COC(=O)C1=CNCCC1 1P00B583 [0,0,0,0,0,1|2,0,1]=4 302 B10R1.15 COC(=O)C1=COCCC1 1P004OK3 [0,0,0,0,0,1|2,1,0]=4 303 B10R1.15 COC(=O)C1CCCCS1 1P01A67O [0,0,0,0,0,1|2,0,1]=4 304 B10R1.15 COC(=O)C1SCCCS1 1P00EW0F [0,0,0,0,0,1|2,0,1]=4 305 B10R1.27 BrCC(=O)Nc1nccs1 1P00FM0Q [0,0,0,0,0,1|1,0,2]=4 306 B10R1.27 CCC(=O)CC1CCCO1 1P019SFS [0,0,0,0,0,1|1,1,1]=4 307 B10R1.27 CCC(=O)Cc1cccs1 1P01ABJV [0,0,0,0,0,1|1,0,2]=4 308 B10R1.27 COC(=O)C=C1CCCC1 1P00C7I7 [0,0,0,0,0,1|3,0,0]=4 309 B10R1.27 COC(=O)C=C1CCCN1 1P01AJB2 [0,0,0,0,0,1|2,0,1]=4 310 B10R1.27 COC(=O)Cc1nccs1 1P01BHVY [0,0,0,0,0,1|1,0,2]=4 311 B10R1.27 COC(=O)\C=C\1/CCCN1 1P01HK6X [0,0,0,0,0,1|2,0,1]=4 312 B10R1.27 ClCC(=O)NC1=NCCS1 1P0052LI [0,0,0,0,0,1|1,0,0]=2 313 B10R1.27 ClCC(=O)Nc1nccs1 1P00DDHA [0,0,0,0,0,1|1,0,2]=4 314 B10R1.27 ClCC(=O)Nc1nncs1 1P00721A [0,0,0,0,0,1|2,0,1]=4 315 B10R1.27 NCC(=O)Nc1nccs1 1P00J2EN [0,0,0,0,0,1|1,0,2]=4 316 B10R1.27 NCC(=O)Nc1nccs1 1P019X28 [0,0,0,0,0,1|1,0,2]=4 317 B7R0.3 BrCCCC(=O)CC 1P0029WY [1,0,1,0,0,0|1,0,1]=4 318 B7R0.3 CCCCC(=O)CC 1P003JZ2 [1,0,1,0,0,0|1,0,1]=4 319 B7R0.3 CCCNC(=O)CC 1P00CZT8 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.3 CCCOC(=O)CC 1P0035ZU [1,0,1,0,0,0|1,1,0]=4 321 B7R0.3 CCSCC(=O)OC 1P002AX7 [1,0,1,0,0,0|1,0,1]=4 322 B7R0.3 CC\C=C\C(=O)OC 1P001QA2 [1,0,1,0,0,0|2,0,0]=4 323 B7R0.3 CNC(=O)CCCS 1P01A62M [1,0,1,0,0,0|1,0,1]=4 324 B7R0.3 COC(=O)CCCS 1P00C7YW [1,0,1,0,0,0|1,0,1]=4 325 B7R0.3 ClCCCC(=O)CC 1P01AC2E [1,0,1,0,0,0|1,0,1]=4 326 B7R0.3 ICCCC(=O)CC 1P0292M5 [1,0,1,0,0,0|1,0,1]=4 327 B7R0.3 NCCNC(=O)CC 1P01DTQO [1,0,1,0,0,0|1,0,1]=4 328 B7R0.3 NCCNC(=O)CC 1P01XCPR [1,0,1,0,0,0|1,0,1]=4 329 B7R0.3 OCCNC(=O)CC 1P0024IT [1,0,1,0,0,0|0,1,1]=4 330 B7R0.3 OCCOC(=O)CC 1P002P1Q [1,0,1,0,0,0|1,1,0]=4 331 B7R0.5 CCCC(=O)C(=O)C 1P003G1L [1,0,1,0,0,0|1,1,0]=4 332 B7R0.5 CCOC(=O)C(=O)C 1P0035DH [1,0,1,0,0,0|1,1,0]=4 333 B7R0.7 CCCC(=N)OCC 1P00JTEH [1,0,1,0,0,0|0,1,1]=4 334 B7R0.7 CCNC(=S)SCC 1P028EDK [1,0,1,0,0,0|2,0,0]=4 335 B7R0.7 CCOC(=S)SCC 1P00E9ND [1,0,1,0,0,0|2,0,0]=4 336 B7R0.7 CCSC(=O)SCC 1P003Q8V [1,0,1,0,0,0|2,0,0]=4 337 B7R0.10 CCC(=C)C(=O)OC 1P00BVKE [1,0,1,0,0,0|2,0,0]=4 338 B7R0.10 CCC(=O)C(=NO)C 1P007J6W [1,0,1,0,0,0|1,0,0]=3 339 B7R0.10 CCC(=O)C(=O)CC 1P00DEQE [1,0,1,0,0,0|0,1,0]=3 340 B7R0.10 CCC(=O)C(=O)OC 1P003S5Q [1,0,1,0,0,0|1,1,0]=4 341 B7R0.10 CCC(=O)C(CC)O 1P003UFW [1,0,1,0,0,0|0,1,1]=4 342 B7R0.10 CCC(=O)N(CC)C 1P01XBR5 [1,0,1,0,0,0|2,0,0]=4 343 B7R0.10 CCC(=O)\C(=C\Br)\C 1P01EMJB [1,0,1,0,0,0|2,0,0]=4 344 B7R0.10 CCC(C(=O)OC)S 1P0289SO [1,0,1,0,0,0|1,0,1]=4 345 B7R0.10 COC(=O)C(=CC)C 1P003SJI [1,0,1,0,0,0|2,0,0]=4 346 B7R0.10 COC(=O)\C(=C/C)\C 1P003OCY [1,0,1,0,0,0|2,0,0]=4 347 B7R0.10 CON(C(=O)CC)C 1P007GR1 [1,0,1,0,0,0|1,1,0]=4 348 B7R0.10 CSC(C(=O)OC)C 1P003S5J [1,0,1,0,0,0|1,0,1]=4 349 B7R0.1 OCCC\C=C/CC 1P003PFW [1,0,1,0,0,0|1,1,0]=4 350 B7R0.4 CCCC=CC(=O)C 1P003JZ4 [1,0,1,0,0,0|2,0,0]=4 351 B7R0.4 CCCSCC(=O)C 1P01CANS [1,0,1,0,0,0|1,0,1]=4 352 B7R0.4 FCCSCC(=O)C 1P01B2Y7 [1,0,1,0,0,0|1,0,1]=4 353 B7R1.1 C1CON=C1C=O 1P028L7B [2,0,0,0,0,0|2,0,0]=4 354 B7R1.1 CCC1=CCCC1 1P003ER5 [2,0,0,0,0,0|2,0,0]=4 355 B7R1.1 CCC1=NCCO1 1P003HNL [2,0,0,0,0,0|0,1,0]=3 356 B7R1.1 CCc1nccs1 1P001PGS [2,0,0,0,0,0|0,0,2]=4 357 B7R1.1 CNC1=NCCC1 1P01ADJW [2,0,0,0,0,0|2,0,0]=4 358 B7R1.1 CNC1=NCCN1 1P023P8C [2,0,0,0,0,0|2,0,0]=4 359 B7R1.1 CNC1=NCCO1 1P01C5RP [2,0,0,0,0,0|1,1,0]=4 360 B7R1.1 CNC1=NCCS1 1P019WUF [2,0,0,0,0,0|1,0,0]=3 361 B7R1.1 COC1=NCCC1 1P00DCJM [2,0,0,0,0,0|2,0,0]=4 362 B7R1.1 CSC1=NCCN1 1P002DOC [2,0,0,0,0,0|2,0,0]=4 363 B7R1.1 CSC1=NCCN1 1P003FK3 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.1 CSC1=NCCS1 1P002CSS [2,0,0,0,0,0|1,0,0]=3 365 B7R1.1 ClCC1=NCCN1 1P00157V [2,0,0,0,0,0|2,0,0]=4 366 B7R1.1 ClCC1=NCCO1 1P01BW4Y [2,0,0,0,0,0|1,1,0]=4 367 B7R1.1 NCC1=NCCN1 1P005CCD [2,0,0,0,0,0|2,0,0]=4 368 B7R1.1 NNC1=NCCS1 1P01EIR1 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.1 O=CC1=CCCC1 1P00EGML [2,0,0,0,0,0|2,0,0]=4 370 B7R1.1 O=CC1=CCCO1 1P01DC7A [2,0,0,0,0,0|1,1,0]=4 371 B7R1.1 O=Cc1nccs1 1P0006QL [2,0,0,0,0,0|0,0,2]=4 372 B7R1.1 O=Cc1nncs1 1P001KQO [2,0,0,0,0,0|1,0,1]=4 373 B7R1.1 OCC1=NCCN1 1P0280SZ [2,0,0,0,0,0|2,0,0]=4 374 B9R0.6 CCOC(=O)C(=O)C(Br)C 1P00EF7H [0,1,1,0,0,0|1,1,0]=4 375 B9R0.6 CCOC(=O)C(=O)C(C)C 1P0028HL [0,1,1,0,0,0|1,1,0]=4 376 B9R0.35 CCCC(=O)C(=O)OCC 1P00DEHV [0,1,1,0,0,0|1,1,0]=4 377 B9R0.35 CCCC(C(=O)OCC)S 1P028SAF [0,1,1,0,0,0|1,0,1]=4 378 B9R0.35 CCNC(=O)C(=O)NCC 1P003T0M [0,1,1,0,0,0|0,1,1]=4 379 B9R0.35 CCNC(=O)C(=O)OCC 1P0193FQ [0,1,1,0,0,0|0,1,1]=4 380 B9R0.35 CCOC(=O)C(=N)OCC 1P0036K9 [0,1,1,0,0,0|0,1,0]=3 381 B9R0.35 CCOC(=O)C(=O)OCC 1P003PXR [0,1,1,0,0,0|1,1,0]=4 382 B9R0.5 BrCC\C=C\C(=O)OCC 1P01XFO1 [0,1,1,0,0,0|2,0,0]=4 383 B9R0.5 CCC\C=C\C(=O)OCC 1P002VBW [0,1,1,0,0,0|2,0,0]=4 384 B9R0.5 OCC\C=C\C(=O)OCC 1P000UT3 [0,1,1,0,0,0|1,1,0]=4 385 B9R0.46 CCCSC=CC(=O)OC 1P01C4A0 [0,1,1,0,0,0|2,0,0]=4 386 B9R0.46 CSCCC=CC(=O)OC 1P028PHL [0,1,1,0,0,0|2,0,0]=4 387 B9R1.35 CC(=O)c1nc(cs1)Br 1P002K2W [1,1,0,0,0,0|0,0,2]=4 388 B9R1.35 CC(=O)c1ncc(s1)Br 1P00IDBH [1,1,0,0,0,0|0,0,2]=4 389 B9R1.35 CC(=O)c1ncc(s1)Cl 1P00IDBG [1,1,0,0,0,0|0,0,2]=4 390 B9R1.35 Cc1cnc(s1)C(=O)C 1P00EL9S [1,1,0,0,0,0|0,0,2]=4 391 B9R1.35 Cc1csc(n1)C(=O)C 1P00G607 [1,1,0,0,0,0|0,0,2]=4 392 B9R1.41 CC1=C(CCC1)C(=O)C 1P00CZS8 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.12 C=CCSC1=NCCS1 1P00C00M [1,1,0,0,0,0|1,0,1]=4 394 B9R1.13 CC(=O)NC1=NCCS1 1P01C2WZ [1,1,0,0,0,0|1,0,1]=4 395 B9R1.73 CCCC(=O)C1CCC1 1P01C1SI [0,1,0,0,1,0|1,0,1]=4 396 B9R1.73 CCOC(=O)C1=CCC1 1P018COL [0,1,0,0,1,0|1,0,0]=3 397 B9R1.73 CCOC(=O)C1CCC1 1P001LZ2 [0,1,0,0,1,0|1,0,1]=4 398 B9R1.73 CCOC(=O)C1CCN1 1P001TSP [0,1,0,0,1,0|0,0,2]=4 399 B9R1.82 CCC(=O)N1CC(C1)N 1P01FJXG [0,1,0,0,1,0|2,0,0]=4 400 B9R1.110 CC(C(=O)C1CCC1)Br 1P01BBBD [0,1,0,0,1,0|1,0,1]=4 401 B9R1.110 CC(C(=O)C1CCC1)C 1P028J50 [0,1,0,0,1,0|1,0,1]=4 402 B9R1.110 CC(C(=O)N1CCC1)Cl 1P01DVFJ [0,1,0,0,1,0|2,0,0]=4 403 B11R1.16 CCOC(=O)C1=CCCCC1 1P001WA8 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.16 CCOC(=O)C1=CCCNC1 1P01R46W [0,1,0,0,0,1|1,0,1]=4 405 B11R1.16 CCOC(=O)C1=CCCOC1 1P00J3AC [0,1,0,0,0,1|1,1,0]=4 406 B11R1.16 CCOC(=O)C1=CNCCC1 1P00I70Q [0,1,0,0,0,1|1,0,1]=4 407 B11R1.16 CCOC(=O)C1=CNCCS1 1P01JJ1J [0,1,0,0,0,1|0,0,1]=3 408 B11R1.16 CCOC(=O)C1CNCCS1 1P003QXP [0,1,0,0,0,1|0,0,2]=4 409 B11R1.16 CCOC(=O)C1CSCCN1 1P001R44 [0,1,0,0,0,1|0,0,2]=4 410 B11R1.16 CCOC(=O)C1SCCCS1 1P002A2I [0,1,0,0,0,1|1,0,1]=4 411 B11R1.30 CCOC(=O)C=C1CCCC1 1P002EXW [0,1,0,0,0,1|2,0,0]=4 412 B11R1.30 CCOC(=O)CC1=NCCS1 1P006ZRW [0,1,0,0,0,1|0,0,0]=2 413 B11R1.30 CCOC(=O)Cc1nccs1 1P001HE0 [0,1,0,0,0,1|0,0,2]=4 414 B11R1.30 CNCC(=O)Nc1nccs1 1P019WJ3 [0,1,0,0,0,1|0,0,2]=4 415 B11R1.30 ClCCC(=O)Nc1nccs1 1P00BNU3 [0,1,0,0,0,1|0,0,2]=4 416 B11R1.35 CC(C(=O)Nc1nncs1)Cl 1P0006HL [0,1,0,0,0,1|1,0,1]=4 417 B11R1.35 O=C(C(Cl)C)NC1=NCCS1 1P0073D1 [0,1,0,0,0,1|0,0,0]=2 418 B11R1.35 O=C(C(Cl)C)Nc1nccs1 1P000CC7 [0,1,0,0,0,1|0,0,2]=4 419 B11R1.39 CCC(=O)Nc1n[nH]c(=S)s1 1P01GQUK [0,1,0,0,0,1|1,0,1]=4 420 B11R1.39 CCC(=O)Nc1scc(n1)C 1P01BKPI [0,1,0,0,0,1|0,0,2]=4 421 B11R1.39 COC(=O)NC1=NC(=O)CS1 1P01OSE2 [0,1,0,0,0,1|1,0,1]=4 422 B11R1.15 CCOC(=O)C1=CCC(C1)N 1P01BVZT [0,2,0,0,0,0|2,0,0]=4 423 B11R1.15 CCOC(=O)c1nc(=O)ss1 1P027V5G [0,2,0,0,0,0|1,0,1]=4 424 B11R1.15 CCOC(=O)c1nc(cs1)Br 1P0037CC [0,2,0,0,0,0|0,0,2]=4 425 B11R1.15 CCOC(=O)c1ncc(s1)Br 1P008ZJ3 [0,2,0,0,0,0|0,0,2]=4 426 B11R1.15 CCOC(=O)c1ncc(s1)Cl 1P028FZ5 [0,2,0,0,0,0|0,0,2]=4 427 B11R1.15 CCOC(=O)c1ncc(s1)I 1P01C72H [0,2,0,0,0,0|0,0,2]=4 428 B11R1.15 CCOC(=O)c1ncc(s1)N 1P0001GS [0,2,0,0,0,0|0,0,2]=4 429 B11R1.15 CCOC(=O)c1ncc(s1)N 1P01B8CB [0,2,0,0,0,0|0,0,2]=4 430 B11R1.15 CCOC(=O)c1nnc(s1)Br 1P0086LV [0,2,0,0,0,0|1,0,1]=4 431 B11R1.15 CCOC(=O)c1nnc(s1)C 1P003QTH [0,2,0,0,0,0|1,0,1]=4 432 B11R1.15 CCOC(=O)c1nnc(s1)Cl 1P003QT3 [0,2,0,0,0,0|1,0,1]=4 433 B11R1.15 CCOC(=O)c1nnc(s1)N 1P00ED0O [0,2,0,0,0,0|1,0,1]=4 434 B11R1.15 CCOC(=O)c1nnc(s1)S 1P01B25T [0,2,0,0,0,0|1,0,1]=4 435 B11R1.15 CCOC(=O)c1scc(n1)C 1P005KOR [0,2,0,0,0,0|0,0,2]=4 436 B11R1.15 CCOC(=O)c1snc(n1)C 1P00G8NZ [0,2,0,0,0,0|1,0,1]=4 437 B11R1.29 CCCOC(=O)C1=NNCC1 1P009QET [0,2,0,0,0,0|2,0,0]=4 438 B11R1.77 CC(=O)CC(=O)c1nccs1 1P01A2NS [0,2,0,0,0,0|0,0,2]=4 439 B11R1.199 CCOC(=O)C1=C(C)CCC1 1P01C4LP [0,2,0,0,0,0|2,0,0]=4 440 B11R1.199 CCOC(=O)C1=C(N)CCC1 1P00ICMW [0,2,0,0,0,0|2,0,0]=4 441 B9R1.3 CC1CCC=C(C1=O)C 1P00CVJI [0,0,1,1,0,0|2,0,0]=4 442 B9R1.5 O=C1CCCCC=C1Br 1P01SIRB [0,0,1,1,0,0|2,0,0]=4 443 B9R1.5 O=C1CCCCC=C1F 1P00049H [0,0,1,1,0,0|2,0,0]=4 444 B9R1.5 O=C1CCCCCC1=O 1P007K1J [0,0,1,1,0,0|1,1,0]=4 445 B9R1.37 CC1CC(=O)C(=O)C1C 1P003IZ3 [0,0,1,1,0,0|1,1,0]=4 446 B9R1.132 CCC1=C(O)C(=O)CC1 1P00I4P4 [0,0,1,1,0,0|1,1,0]=4 447 B9R1.1 CCC1CCC(=O)C=C1 1P01BJI4 [0,0,1,1,0,0|2,0,0]=4 448 B9R2.3 C1CN2C(=NCC2)N1 1P00998V [1,0,0,1,0,0|2,0,0]=4 449 B9R2.140 O=C1CCC12CCC2 1P00EDSI [0,0,0,1,1,0|1,0,1]=4 450 B11R2.1 O=C1CCC2C1SCCS2 1P01A345 [0,0,0,1,0,1|1,0,1]=4 451 B11R2.2 C1CN=C(O1)C2=NCCO2 1P003FQD [0,1,0,1,0,0|0,1,1]=4 452 B11R2.11 NC1CN(C1)C2=NCCS2 1P027ZR1 [0,1,0,1,0,0|2,0,0]=4 453 B11R2.11 SC1CN(C1)C2=NCCS2 1P0027EW [0,1,0,1,0,0|2,0,0]=4 454 B11R2.1031 O=C(c1nccs1)C2CC2 1P01FEK7 [0,1,0,1,0,0|0,0,2]=4 455 B7R1.18 CC(=O)C1CCC1 1P003PKG [1,0,0,0,1,0|1,0,1]=4 456 B7R1.18 CC(=O)N1CCC1 1P00DLB1 [1,0,0,0,1,0|2,0,0]=4 457 B7R1.18 OC(=O)C1=CCC1 1P00BJ3Y [1,0,0,0,1,0|2,0,0]=4 458 B7R1.6 BrCC=C1CCC1 1P002QD6 [1,0,0,0,1,0|2,0,0]=4 459 B7R1.6 CCC=C1CNC1 1P028GXL [1,0,0,0,1,0|2,0,0]=4 460 B7R1.6 CCCC1CCS1 1P01HA0Z [1,0,0,0,1,0|0,0,2]=4 461 B7R1.6 OCC=C1CCC1 1P01A5JW [1,0,0,0,1,0|2,0,0]=4 462 B7R1.22 BrCC(=O)C1CC1 1P0033LH [0,0,0,0,2,0|1,0,1]=4 463 B7R1.22 CCC(=O)C1CC1 1P00FHR5 [0,0,0,0,2,0|0,0,1]=3 464 B7R1.22 CNC(=O)C1CC1 1P0060X3 [0,0,0,0,2,0|1,0,1]=4 465 B7R1.22 COC(=O)C1CC1 1P002WJH [0,0,0,0,2,0|1,0,1]=4 466 B7R1.22 ClCC(=O)C1CC1 1P005KYK [0,0,0,0,2,0|1,0,1]=4 467 B7R1.22 FCC(=O)C1CC1 1P00CZHZ [0,0,0,0,2,0|1,0,1]=4 468 B7R1.22 NCC(=O)C1CC1 1P01A4QP [0,0,0,0,2,0|1,0,1]=4 469 B7R1.22 OCC(=O)C1CC1 1P019ZQ5 [0,0,0,0,2,0|1,0,1]=4 470 B9R0.26 CCC(=O)C=C(SC)SC 1P028MRQ [0,0,1,0,0,1|1,0,0]=3 471 B9R1.6 CC(=O)C1=CNCCC1 1P019L18 [1,0,0,0,0,1|1,0,1]=4 472 B9R1.6 CC(=O)C1=COCCC1 1P01BSDK [1,0,0,0,0,1|1,1,0]=4 473 B9R1.6 CC(=O)C1=COCCO1 1P01A0MG [1,0,0,0,0,1|1,1,0]=4 474 B9R1.6 OC(=O)C1=CCCSC1 1P01AI3M [1,0,0,0,0,1|2,0,0]=4 475 B9R1.6 OC(=O)C1=CSCCO1 1P000GOL [1,0,0,0,0,1|2,0,0]=4 476 B9R1.8 CCCC1=NCCCC1 1P00B1B6 [1,0,0,0,0,1|1,0,1]=4 477 B9R1.8 CCOC1=NCCCC1 1P006V1V [1,0,0,0,0,1|2,0,0]=4