0 B7R0.18 CCC(C#C)(CC)N 1P00AO25 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.18 CCC(C#C)(CC)N 1P00BZHJ [0,0,0,0,0,0|3,0,1]=4 2 B7R0.18 CCC(C#N)(CC)N 1P00BIWM [0,0,0,0,0,0|3,0,1]=4 3 B7R0.18 CCC(C#N)(CC)N 1P019VHA [0,0,0,0,0,0|3,0,1]=4 4 B7R0.18 CCC(C=C)(CO)C 1P01AG3S [0,0,0,0,0,0|3,0,1]=4 5 B7R0.18 CCC(CBr)(CC)F 1P0291M1 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.18 CCC(CC)(CC)Br 1P003JHL [0,0,0,0,0,0|4,0,0]=4 7 B7R0.18 CCC(CC)(CC)N 1P00J20P [0,0,0,0,0,0|3,0,0]=3 8 B7R0.18 CCC(CC)(CC)O 1P003JV5 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.18 CCC(CC)(CC)S 1P00EU1S [0,0,0,0,0,0|4,0,0]=4 10 B7R0.18 CCC(CN)(CC)C 1P01EIJZ [0,0,0,0,0,0|4,0,0]=4 11 B7R0.18 CCC(CN)(CC)F 1P0291WA [0,0,0,0,0,0|4,0,0]=4 12 B7R0.18 CCC(CN)(CC)N 1P01AIHM [0,0,0,0,0,0|3,0,0]=3 13 B7R0.18 CCC(CN)(CC)O 1P01A89C [0,0,0,0,0,0|4,0,0]=4 14 B7R0.18 CCC(CO)(CC)C 1P0076LW [0,0,0,0,0,0|3,0,0]=3 15 B7R0.18 CCC(CO)(CC)N 1P002BNR [0,0,0,0,0,0|2,0,0]=2 16 B7R0.18 CCC(CO)(CC)O 1P01DX1O [0,0,0,0,0,0|3,0,0]=3 17 B7R0.18 CCC(CO)(CC)S 1P01C1SJ [0,0,0,0,0,0|3,0,0]=3 18 B7R0.18 CCC(CO)(CN)C 1P01A29T [0,0,0,0,0,0|3,0,0]=3 19 B7R0.18 CCC(CO)(CO)C 1P005S0N [0,0,0,0,0,0|2,0,0]=2 20 B7R0.18 CCC(CO)(CO)N 1P000G1A [0,0,0,0,0,0|1,0,0]=1 21 B7R0.18 ClCC(CCl)(CCl)C 1P003DMF [0,0,0,0,0,0|4,0,0]=4 22 B7R0.18 NCC(CN)(CN)C 1P001S0N [0,0,0,0,0,0|4,0,0]=4 23 B7R0.18 NCC(CN)(CN)C 1P01FJCG [0,0,0,0,0,0|4,0,0]=4 24 B7R0.18 NCC(CO)(CO)C 1P01AMLO [0,0,0,0,0,0|2,0,0]=2 25 B7R0.18 NCC(CO)(CO)N 1P028H4Y [0,0,0,0,0,0|1,0,0]=1 26 B7R0.18 NCC(CO)(CO)O 1P01FJXM [0,0,0,0,0,0|2,0,0]=2 27 B7R0.18 OCC(C#C)(CO)N 1P028ARR [0,0,0,0,0,0|1,0,1]=2 28 B7R0.18 OCC(CBr)(CO)C 1P00BOCT [0,0,0,0,0,0|2,0,0]=2 29 B7R0.18 OCC(CCl)(CO)N 1P028SB5 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.18 OCC(CF)(CF)N 1P028BMR [0,0,0,0,0,0|2,0,0]=2 31 B7R0.18 OCC(CO)(CO)C 1P003DMH [0,0,0,0,0,0|1,0,0]=1 32 B7R0.18 OCC(CO)(CO)F 1P01FL3K [0,0,0,0,0,0|1,0,0]=1 33 B7R0.18 OCC(CO)(CO)N 1P0039O8 [0,0,0,0,0,0|0,0,0]=0 34 B7R0.18 OCC(CO)(CO)N 1P003AWM [0,0,0,0,0,0|0,0,0]=0 35 B7R0.18 OCC(CO)(CO)N 1P00HF1G [0,0,0,0,0,0|0,0,0]=0 36 B7R0.18 OCC(CO)(CO)N 1P00ICB0 [0,0,0,0,0,0|0,0,0]=0 37 B7R0.18 OCC(CO)(CO)[NH3+] 1P005TIB [0,0,0,0,0,0|0,0,1]=1 38 B6R0.8 BrCC(CBr)(C)C 1P00DA22 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.8 CC(C#C)(CC)N 1P00341M [1,0,0,0,0,0|2,0,1]=4 40 B6R0.8 CC(C#C)(CC)N 1P0076LZ [1,0,0,0,0,0|2,0,1]=4 41 B6R0.8 CC(C#N)(CC)N 1P0039NH [1,0,0,0,0,0|2,0,1]=4 42 B6R0.8 CC(C#N)(CC)N 1P00I9KR [1,0,0,0,0,0|2,0,1]=4 43 B6R0.8 CC(C#N)(CO)N 1P0017WR [1,0,0,0,0,0|1,0,1]=3 44 B6R0.8 CC(C#N)(CO)N 1P01BB55 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.8 CC(C#N)(CO)O 1P0282UN [1,0,0,0,0,0|2,0,1]=4 46 B6R0.8 CC(C=C)(CC)N 1P01FIK4 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.8 CCC(CBr)(C)C 1P01A2PI [1,0,0,0,0,0|3,0,0]=4 48 B6R0.8 CCC(CC)(Br)C 1P003885 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.8 CCC(CC)(C)C 1P003IUC [1,0,0,0,0,0|3,0,0]=4 50 B6R0.8 CCC(CC)(Cl)C 1P003JO4 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.8 CCC(CC)(N)C 1P00C95L [1,0,0,0,0,0|2,0,0]=3 52 B6R0.8 CCC(CC)(N)C 1P00J2NZ [1,0,0,0,0,0|2,0,0]=3 53 B6R0.8 CCC(CC)(O)C 1P00347U [1,0,0,0,0,0|3,0,0]=4 54 B6R0.8 CCC(CCl)(Cl)C 1P002MBW [1,0,0,0,0,0|3,0,0]=4 55 B6R0.8 CCC(CN)(C)C 1P01BEN7 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.8 CCC(CN)(Cl)C 1P028K72 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.8 CCC(CN)(N)C 1P00DRD2 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.8 CCC(CN)(O)C 1P006WOQ [1,0,0,0,0,0|3,0,0]=4 59 B6R0.8 CCC(CN)(O)C 1P028OF0 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.8 CCC(CO)(C)C 1P008TP6 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.8 CCC(CO)(F)F 1P01B71Q [1,0,0,0,0,0|3,0,0]=4 62 B6R0.8 CCC(CO)(N)C 1P0006K6 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.8 CCC(CO)(O)C 1P00C6Q5 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.8 ClCC(CBr)(Br)C 1P00866D [1,0,0,0,0,0|3,0,0]=4 65 B6R0.8 ClCC(CBr)(F)C 1P0292X2 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.8 ClCC(CCl)(C)C 1P002Z7Q [1,0,0,0,0,0|3,0,0]=4 67 B6R0.8 NCC(CBr)(C)C 1P01C37L [1,0,0,0,0,0|3,0,0]=4 68 B6R0.8 NCC(CBr)(F)C 1P028XSL [1,0,0,0,0,0|3,0,0]=4 69 B6R0.8 NCC(CCl)(C)C 1P01BAJL [1,0,0,0,0,0|3,0,0]=4 70 B6R0.8 NCC(CF)(C)C 1P024QH2 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.8 NCC(CN)(C)C 1P003FRX [1,0,0,0,0,0|3,0,0]=4 72 B6R0.8 NCC(CO)(C)C 1P003JAR [1,0,0,0,0,0|2,0,0]=3 73 B6R0.8 NCC(CO)(C)C 1P01JZYZ [1,0,0,0,0,0|2,0,0]=3 74 B6R0.8 NCC(CO)(F)F 1P000WN0 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.8 NCC(CO)(F)F 1P001OAH [1,0,0,0,0,0|3,0,0]=4 76 B6R0.8 NCC(CO)(O)C 1P019TG2 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.8 NCC(CO)(O)C 1P028HBK [1,0,0,0,0,0|2,0,0]=3 78 B6R0.8 NCC(CS)(C)C 1P028QOE [1,0,0,0,0,0|2,1,0]=4 79 B6R0.8 OCC(C#C)(C)C 1P00ED7M [1,0,0,0,0,0|2,0,1]=4 80 B6R0.8 OCC(C#N)(C)C 1P00AMGU [1,0,0,0,0,0|2,0,1]=4 81 B6R0.8 OCC(C=C)(C)C 1P00J3BW [1,0,0,0,0,0|2,0,1]=4 82 B6R0.8 OCC(C=O)(C)C 1P0037VS [1,0,0,0,0,0|1,0,2]=4 83 B6R0.8 OCC(CBr)(C)C 1P00342F [1,0,0,0,0,0|2,0,0]=3 84 B6R0.8 OCC(CBr)(F)F 1P01B9J5 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.8 OCC(CCl)(C)C 1P003JN0 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.8 OCC(CF)(F)F 1P024SGI [1,0,0,0,0,0|3,0,0]=4 87 B6R0.8 OCC(CO)(C)C 1P000R4P [1,0,0,0,0,0|1,0,0]=2 88 B6R0.8 OCC(CO)(F)F 1P0037WJ [1,0,0,0,0,0|2,0,0]=3 89 B6R0.8 OCC(CO)(N)C 1P000G1B [1,0,0,0,0,0|0,0,0]=1 90 B6R0.8 OCC(CO)(O)C 1P00C48B [1,0,0,0,0,0|1,0,0]=2 91 B6R0.8 OCC(CS)(C)C 1P01EJ6W [1,0,0,0,0,0|1,1,0]=3 92 B6R0.8 OCC(NC)(C)C 1P002USC [1,0,0,0,0,0|3,0,0]=4 93 B6R0.8 OCC(NC)(C)C 1P01AVAE [1,0,0,0,0,0|3,0,0]=4 94 B6R0.8 OCC(OC)(C)C 1P0039HN [1,0,0,0,0,0|3,0,0]=4 95 B6R0.8 OCC(ON)(C)C 1P01APIA [1,0,0,0,0,0|3,0,0]=4 96 B6R0.8 OCC(SC)(C)C 1P01A53K [1,0,0,0,0,0|3,0,0]=4 97 B6R0.9 BrCC(CBr)CBr 1P01SDB6 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.9 CCC(CBr)CBr 1P00BFW9 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.9 CCC(CBr)CC 1P003361 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.9 CCC(CI)CC 1P027V4B [1,0,0,0,0,0|3,0,0]=4 101 B6R0.9 CCC(CN)CC 1P00E9X2 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.9 CCC(CN)CC 1P00HVSA [1,0,0,0,0,0|3,0,0]=4 103 B6R0.9 CCC(CN)CN 1P01BAZN [1,0,0,0,0,0|3,0,0]=4 104 B6R0.9 CCC(CO)CC 1P0033R9 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.9 CCC(CO)CN 1P01BNAS [1,0,0,0,0,0|2,0,0]=3 106 B6R0.9 CCC(CO)CO 1P002S7Y [1,0,0,0,0,0|1,0,0]=2 107 B6R0.9 CCC(CS)CC 1P01FG0V [1,0,0,0,0,0|2,1,0]=4 108 B6R0.9 CCC(NC)CO 1P002USD [1,0,0,0,0,0|3,0,0]=4 109 B6R0.9 CCC(NO)CC 1P01B6NL [1,0,0,0,0,0|3,0,0]=4 110 B6R0.9 CCC(OC)CO 1P003HZ7 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.9 CC[C@@H](NC)CO 1P01JM2P [1,0,0,0,0,0|3,0,0]=4 112 B6R0.9 CC[C@H](NC)CO 1P007FWP [1,0,0,0,0,0|3,0,0]=4 113 B6R0.9 COC(CBr)CO 1P01SIVD [1,0,0,0,0,0|3,0,0]=4 114 B6R0.9 COC(CO)CN 1P01A270 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.9 CO[C@@H](CO)CN 1P01JWIA [1,0,0,0,0,0|3,0,0]=4 116 B6R0.9 CO[C@@H](CO)CN 1P01RT3Q [1,0,0,0,0,0|3,0,0]=4 117 B6R0.9 CO[C@H](CO)CN 1P02814R [1,0,0,0,0,0|3,0,0]=4 118 B6R0.9 NCC(CO)CO 1P019GUD [1,0,0,0,0,0|1,0,0]=2 119 B6R0.9 OCC(=NO)CO 1P003E0L [1,0,0,0,0,0|1,0,1]=3 120 B6R0.9 OCC(CBr)CO 1P024WLV [1,0,0,0,0,0|1,0,0]=2 121 B6R0.9 OCC(CO)CO 1P00396V [1,0,0,0,0,0|0,0,0]=1 122 B6R0.9 OCC(CO)NC 1P00592F [1,0,0,0,0,0|2,0,0]=3 123 B6R0.9 OCC(CO)NC 1P01BGWQ [1,0,0,0,0,0|2,0,0]=3 124 B6R0.9 OCC(CO)OC 1P0058C6 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.9 OCP(CO)CO 1P002UUJ [1,0,0,0,0,0|1,0,0]=2 126 B8R0.10 CCC(C#N)(CO)CC 1P01C4ID [0,1,0,0,0,0|2,0,1]=4 127 B8R0.10 CCC(CCl)(CCl)CO 1P01BEVM [0,1,0,0,0,0|3,0,0]=4 128 B8R0.10 CCC(CN)(CC)CC 1P01A07N [0,1,0,0,0,0|3,0,0]=4 129 B8R0.10 CCC(CO)(CC)CC 1P000UMQ [0,1,0,0,0,0|3,0,0]=4 130 B8R0.10 CCC(CO)(CN)CC 1P01A2R7 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.10 CCC(CO)(CO)CC 1P000G17 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.10 CCC(CO)(CO)CO 1P0030U0 [0,1,0,0,0,0|1,0,0]=2 133 B8R0.10 CCC(CO)(CO)CO 1P003HNF [0,1,0,0,0,0|1,0,0]=2 134 B8R0.10 CCC(CO)(CO)CO 1P003VKS [0,1,0,0,0,0|1,0,0]=2 135 B8R0.10 CCC(OC)(CO)CC 1P01DVF0 [0,1,0,0,0,0|3,0,0]=4 136 B8R0.10 CCC(SC)(CO)CC 1P01FQ34 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.10 NCC(CN)(CN)CN 1P01JQ1J [0,1,0,0,0,0|3,0,0]=4 138 B8R0.10 NCC(CO)(CN)CN 1P028HBD [0,1,0,0,0,0|2,0,0]=3 139 B8R0.10 NCC(CO)(CO)CN 1P01ALZV [0,1,0,0,0,0|1,0,0]=2 140 B8R0.10 NCC(CO)(CO)CO 1P01R4AZ [0,1,0,0,0,0|0,0,0]=1 141 B8R0.10 OCC(CBr)(CBr)CBr 1P00HYER [0,1,0,0,0,0|3,0,0]=4 142 B8R0.10 OCC(CBr)(CBr)CO 1P003BJU [0,1,0,0,0,0|2,0,0]=3 143 B8R0.10 OCC(CBr)(CO)CO 1P002FYM [0,1,0,0,0,0|1,0,0]=2 144 B8R0.10 OCC(CCl)(CCl)CCl 1P005365 [0,1,0,0,0,0|3,0,0]=4 145 B8R0.10 OCC(CCl)(CO)CO 1P028FEH [0,1,0,0,0,0|1,0,0]=2 146 B8R0.10 OCC(CO)(CO)CO 1P000G16 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.10 OCC(CO)(CO)CO 1P0035X3 [0,1,0,0,0,0|1,0,0]=2 148 B8R0.10 OC[P+](CO)(CO)CO 1P000LUW [0,1,0,0,0,0|2,0,0]=3 149 B8R0.10 OC[P+](CO)(CO)CO 1P00IADP [0,1,0,0,0,0|2,0,0]=3 150 B8R0.31 C#CCC(CO)(CN)C 1P028WLA [0,1,0,0,0,0|3,0,0]=4 151 B8R0.31 C=CCC(CO)(CC)C 1P0290EK [0,1,0,0,0,0|3,0,0]=4 152 B8R0.31 C=CCC(CO)(CN)C 1P028ZHU [0,1,0,0,0,0|3,0,0]=4 153 B8R0.31 CCCC(CO)(CO)C 1P0033DD [0,1,0,0,0,0|2,0,0]=3 154 B8R0.31 COCC(CN)(CC)C 1P028VT2 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.31 COCC(CO)(CN)C 1P01FI4T [0,1,0,0,0,0|2,0,0]=3 156 B8R0.31 COCC(CO)(CN)O 1P028OKX [0,1,0,0,0,0|2,0,0]=3 157 B8R0.31 COCC(NC)(CO)C 1P01ALGF [0,1,0,0,0,0|3,0,0]=4 158 B8R0.31 NCCC(CC)(CC)N 1P0282VS [0,1,0,0,0,0|3,0,0]=4 159 B8R0.31 OCC(CNC)(CO)C 1P01A1PH [0,1,0,0,0,0|2,0,0]=3 160 B8R0.31 OCC(CNC)(CO)N 1P028EJI [0,1,0,0,0,0|1,0,0]=2 161 B8R0.31 OCC(COC)(CO)C 1P007317 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.31 OCCC(CC)(CC)N 1P01B9AS [0,1,0,0,0,0|2,0,0]=3 163 B8R0.36 CCC(C(=O)O)(CC)N 1P00BDXI [0,1,0,0,0,0|2,0,1]=4 164 B8R0.36 CCC(C(=O)O)(CC)N 1P00IHLA [0,1,0,0,0,0|2,0,1]=4 165 B8R0.36 CCC(C(=O)O)(CO)C 1P01C2FD [0,1,0,0,0,0|2,0,1]=4 166 B8R0.36 CCC(C(C)C)(CC)N 1P01DX9Z [0,1,0,0,0,0|3,0,0]=4 167 B8R0.36 CCC(C(C)C)(CC)N 1P0280LY [0,1,0,0,0,0|3,0,0]=4 168 B8R0.36 CCC(C(F)F)(CO)C 1P028CEW [0,1,0,0,0,0|3,0,0]=4 169 B8R0.36 CCC(C(O)C)(CN)C 1P01A2RN [0,1,0,0,0,0|3,0,0]=4 170 B8R0.36 FCC(C(=O)O)(CF)N 1P027VT4 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.36 OCC(C(=O)O)(CO)C 1P0033DE [0,1,0,0,0,0|1,0,1]=3 172 B8R0.36 OCC(C(=O)O)(CO)N 1P0292IJ [0,1,0,0,0,0|0,0,1]=2 173 B8R0.36 OCC(N(C)C)(CO)C 1P01AUSL [0,1,0,0,0,0|3,0,0]=4 174 B8R0.36 OCC([N+](=O)[O-])(CO)C 1P003I2L [0,1,0,0,0,0|2,0,1]=4 175 B8R1.52 BrCC1(C)COCC1 1P00HYYB [0,0,0,1,0,0|3,0,0]=4 176 B8R1.52 BrCC1(F)COCC1 1P027UCR [0,0,0,1,0,0|3,0,0]=4 177 B8R1.52 C#CC1(N)COCC1 1P028GJ7 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.52 CCC1(N)CCCC1 1P00J20O [0,0,0,1,0,0|3,0,0]=4 179 B8R1.52 CCC1(N)COCC1 1P01BDUW [0,0,0,1,0,0|2,0,0]=3 180 B8R1.52 CCC1(O)COCC1 1P01BO0Y [0,0,0,1,0,0|3,0,0]=4 181 B8R1.52 FCC1(N)CCCC1 1P02804Z [0,0,0,1,0,0|3,0,0]=4 182 B8R1.52 FCC1(N)CNCC1 1P0281H8 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.52 N#CC1(N)COCC1 1P00HUN6 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.52 NCC1(C)COCC1 1P00IEK4 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.52 NCC1(F)COCC1 1P01EIH8 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.52 NCC1(N)CCCC1 1P019X0I [0,0,0,1,0,0|3,0,0]=4 187 B8R1.52 NCC1(O)COCC1 1P01A346 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.52 NCC1(O)COCC1 1P01B8VE [0,0,0,1,0,0|3,0,0]=4 189 B8R1.52 OCC1(C)CC=CC1 1P028Q9U [0,0,0,1,0,0|3,0,0]=4 190 B8R1.52 OCC1(C)CCCC1 1P00I84D [0,0,0,1,0,0|3,0,0]=4 191 B8R1.52 OCC1(C)CNCC1 1P009FYA [0,0,0,1,0,0|3,0,0]=4 192 B8R1.52 OCC1(C)CNCC1 1P00HUMP [0,0,0,1,0,0|3,0,0]=4 193 B8R1.52 OCC1(C)COCC1 1P00HYYA [0,0,0,1,0,0|2,0,0]=3 194 B8R1.52 OCC1(F)CCCC1 1P00IG3A [0,0,0,1,0,0|3,0,0]=4 195 B8R1.52 OCC1(F)CNCC1 1P00I0IG [0,0,0,1,0,0|3,0,0]=4 196 B8R1.52 OCC1(F)COCC1 1P01BCJK [0,0,0,1,0,0|2,0,0]=3 197 B8R1.52 OCC1(N)CC=CC1 1P00G8GF [0,0,0,1,0,0|2,0,0]=3 198 B8R1.52 OCC1(N)CCCC1 1P003EE3 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.52 OCC1(N)COCC1 1P003AXL [0,0,0,1,0,0|1,0,0]=2 200 B8R1.52 OCC1(N)CSCC1 1P01EMRJ [0,0,0,1,0,0|1,1,0]=3 201 B8R1.52 OCC1(O)CCCC1 1P008QTV [0,0,0,1,0,0|3,0,0]=4 202 B8R1.52 OCC1(O)CNCC1 1P00IL9D [0,0,0,1,0,0|3,0,0]=4 203 B8R1.52 OCC1(O)COCC1 1P01BABQ [0,0,0,1,0,0|2,0,0]=3 204 B8R1.52 OC[C@@]1(C)COCC1 1P0094CN [0,0,0,1,0,0|2,0,0]=3 205 B8R1.52 OC[C@@]1(F)CNCC1 1P027OGM [0,0,0,1,0,0|3,0,0]=4 206 B8R1.52 OC[C@@]1(F)COCC1 1P0094CM [0,0,0,1,0,0|2,0,0]=3 207 B8R1.52 OC[C@]1(C)COCC1 1P009WVO [0,0,0,1,0,0|2,0,0]=3 208 B8R1.52 OC[C@]1(F)CNCC1 1P024USL [0,0,0,1,0,0|3,0,0]=4 209 B8R1.52 SCC1(C)COCC1 1P028A9G [0,0,0,1,0,0|2,1,0]=4 210 B8R1.58 CC1(CO)CCC1N 1P028CZU [0,0,0,1,0,0|3,0,0]=4 211 B8R1.60 BrCC1(CBr)COC1 1P0036PK [0,0,0,1,0,0|3,0,0]=4 212 B8R1.60 CCC1(CBr)COC1 1P020ALL [0,0,0,1,0,0|3,0,0]=4 213 B8R1.60 CCC1(CC)CCN1 1P01DX9Q [0,0,0,1,0,0|3,0,0]=4 214 B8R1.60 CCC1(CN)COC1 1P003APH [0,0,0,1,0,0|3,0,0]=4 215 B8R1.60 CCC1(CO)CCC1 1P00BIMT [0,0,0,1,0,0|3,0,0]=4 216 B8R1.60 CCC1(CO)CNC1 1P01C3EL [0,0,0,1,0,0|3,0,0]=4 217 B8R1.60 CCC1(CO)COC1 1P0030PP [0,0,0,1,0,0|2,0,0]=3 218 B8R1.60 CCC1(CS)COC1 1P0203N7 [0,0,0,1,0,0|2,1,0]=4 219 B8R1.60 ClCC1(CBr)COC1 1P00CLYL [0,0,0,1,0,0|3,0,0]=4 220 B8R1.60 ClCC1(CCl)COC1 1P00521U [0,0,0,1,0,0|3,0,0]=4 221 B8R1.60 ClCC1(CI)COC1 1P00CL5D [0,0,0,1,0,0|3,0,0]=4 222 B8R1.60 FCC1(CBr)COC1 1P01XAAJ [0,0,0,1,0,0|3,0,0]=4 223 B8R1.60 NCC1(CF)COC1 1P01DYF5 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.60 NCC1(CN)COC1 1P002NW2 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.60 NCC1(CN)COC1 1P00949P [0,0,0,1,0,0|3,0,0]=4 226 B8R1.60 NCC1(CN)COC1 1P00H5W1 [0,0,0,1,0,0|3,0,0]=4 227 B8R1.60 NCC1(CO)CCC1 1P003ABZ [0,0,0,1,0,0|3,0,0]=4 228 B8R1.60 NCC1(CO)CCC1 1P009KMZ [0,0,0,1,0,0|3,0,0]=4 229 B8R1.60 NCC1(CO)COC1 1P00230W [0,0,0,1,0,0|2,0,0]=3 230 B8R1.60 NCC1(CO)COC1 1P00D9DR [0,0,0,1,0,0|2,0,0]=3 231 B8R1.60 OCC1(CBr)CCC1 1P027V6V [0,0,0,1,0,0|3,0,0]=4 232 B8R1.60 OCC1(CBr)COC1 1P00388Z [0,0,0,1,0,0|2,0,0]=3 233 B8R1.60 OCC1(CCl)CCC1 1P028HVY [0,0,0,1,0,0|3,0,0]=4 234 B8R1.60 OCC1(CCl)COC1 1P00DJZ9 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.60 OCC1(CF)CNC1 1P027PZ8 [0,0,0,1,0,0|3,0,0]=4 236 B8R1.60 OCC1(CF)COC1 1P01DYAI [0,0,0,1,0,0|2,0,0]=3 237 B8R1.60 OCC1(CO)CCC1 1P00DBQB [0,0,0,1,0,0|2,0,0]=3 238 B8R1.60 OCC1(CO)CCN1 1P0290LU [0,0,0,1,0,0|1,0,0]=2 239 B8R1.60 OCC1(CO)CCO1 1P028VK0 [0,0,0,1,0,0|2,0,0]=3 240 B8R1.60 OCC1(CO)CNC1 1P0005GP [0,0,0,1,0,0|2,0,0]=3 241 B8R1.60 OCC1(CO)COC1 1P002UHY [0,0,0,1,0,0|1,0,0]=2 242 B8R1.60 OCC1(NC)COC1 1P001H62 [0,0,0,1,0,0|3,0,0]=4 243 B8R1.60 OCC1(OC)COC1 1P00ILOI [0,0,0,1,0,0|3,0,0]=4 244 B8R1.64 OCC1(CO)CC1C 1P028WL9 [0,0,0,1,0,0|2,0,0]=3 245 B8R1.64 OCC1(CO)CC1N 1P0282DO [0,0,0,1,0,0|2,0,0]=3 246 B5R0.3 BrCC(CBr)C 1P00BI26 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.3 BrCC(CBr)O 1P003DZO [2,0,0,0,0,0|2,0,0]=4 248 B5R0.3 BrC[C@@H](CC)C 1P01FWR0 [2,0,0,0,0,0|2,0,0]=4 249 B5R0.3 CC(C=C)CO 1P003I34 [2,0,0,0,0,0|1,0,1]=4 250 B5R0.3 CC(NC)CO 1P002USE [2,0,0,0,0,0|2,0,0]=4 251 B5R0.3 CC(OC)CO 1P001RGP [2,0,0,0,0,0|2,0,0]=4 252 B5R0.3 CC(SC)CO 1P002A2F [2,0,0,0,0,0|2,0,0]=4 253 B5R0.3 CCC(CBr)C 1P0032OY [2,0,0,0,0,0|2,0,0]=4 254 B5R0.3 CCC(CBr)N 1P028IUT [2,0,0,0,0,0|2,0,0]=4 255 B5R0.3 CCC(CBr)O 1P002Q0C [2,0,0,0,0,0|2,0,0]=4 256 B5R0.3 CCC(CC)N 1P003JEI [2,0,0,0,0,0|2,0,0]=4 257 B5R0.3 CCC(CC)O 1P003KBF [2,0,0,0,0,0|2,0,0]=4 258 B5R0.3 CCC(CCl)C 1P00EBG7 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.3 CCC(CCl)O 1P00AYVS [2,0,0,0,0,0|2,0,0]=4 260 B5R0.3 CCC(CF)N 1P01BA0M [2,0,0,0,0,0|2,0,0]=4 261 B5R0.3 CCC(CI)C 1P00E9YB [2,0,0,0,0,0|2,0,0]=4 262 B5R0.3 CCC(CI)N 1P028G3P [2,0,0,0,0,0|2,0,0]=4 263 B5R0.3 CCC(CI)O 1P000N6V [2,0,0,0,0,0|2,0,0]=4 264 B5R0.3 CCC(CN)C 1P00IK6S [2,0,0,0,0,0|2,0,0]=4 265 B5R0.3 CCC(CN)C 1P01C477 [2,0,0,0,0,0|2,0,0]=4 266 B5R0.3 CCC(CN)N 1P01AB6T [2,0,0,0,0,0|2,0,0]=4 267 B5R0.3 CCC(CN)O 1P003EEI [2,0,0,0,0,0|2,0,0]=4 268 B5R0.3 CCC(CO)Br 1P006XVW [2,0,0,0,0,0|2,0,0]=4 269 B5R0.3 CCC(CO)C 1P001351 [2,0,0,0,0,0|1,0,0]=3 270 B5R0.3 CCC(CO)Cl 1P01AMF6 [2,0,0,0,0,0|2,0,0]=4 271 B5R0.3 CCC(CO)N 1P003GSS [2,0,0,0,0,0|1,0,0]=3 272 B5R0.3 CCC(CO)O 1P003BGJ [2,0,0,0,0,0|1,0,0]=3 273 B5R0.3 CCC(CS)C 1P002GYX [2,0,0,0,0,0|1,1,0]=4 274 B5R0.3 CCC(CS)N 1P01A3ND [2,0,0,0,0,0|1,1,0]=4 275 B5R0.3 CCC(CS)O 1P01BIJJ [2,0,0,0,0,0|1,1,0]=4 276 B5R0.3 CC[C@@H](CCl)N 1P028G0F [2,0,0,0,0,0|2,0,0]=4 277 B5R0.3 CC[C@@H](CI)C 1P002YPR [2,0,0,0,0,0|2,0,0]=4 278 B5R0.3 CC[C@@H](CN)C 1P002IUT [2,0,0,0,0,0|2,0,0]=4 279 B5R0.3 CC[C@@H](CN)C 1P0201XK [2,0,0,0,0,0|2,0,0]=4 280 B5R0.3 CC[C@@H](CN)O 1P01B9RT [2,0,0,0,0,0|2,0,0]=4 281 B5R0.3 CC[C@@H](CO)C 1P001P8L [2,0,0,0,0,0|1,0,0]=3 282 B5R0.3 CC[C@@H](CO)N 1P003CWW [2,0,0,0,0,0|1,0,0]=3 283 B5R0.3 CC[C@@H](CO)O 1P003709 [2,0,0,0,0,0|1,0,0]=3 284 B5R0.3 CC[C@@H](CS)N 1P028FQI [2,0,0,0,0,0|1,1,0]=4 285 B5R0.3 CC[C@H](CBr)O 1P0292ZO [2,0,0,0,0,0|2,0,0]=4 286 B5R0.3 CC[C@H](CCl)N 1P028FOW [2,0,0,0,0,0|2,0,0]=4 287 B5R0.3 CC[C@H](CN)O 1P00J2QC [2,0,0,0,0,0|2,0,0]=4 288 B5R0.3 CC[C@H](CO)C 1P00EBJG [2,0,0,0,0,0|1,0,0]=3 289 B5R0.3 CC[C@H](CO)N 1P0032U5 [2,0,0,0,0,0|1,0,0]=3 290 B5R0.3 CC[C@H](CO)O 1P00I8DI [2,0,0,0,0,0|1,0,0]=3 291 B5R0.3 CC[C@H](CS)N 1P028YXX [2,0,0,0,0,0|1,1,0]=4 292 B5R0.3 C[C@@H](NC)CO 1P01B9ZG [2,0,0,0,0,0|2,0,0]=4 293 B5R0.3 C[C@@H](NC)CO 1P01BA5X [2,0,0,0,0,0|2,0,0]=4 294 B5R0.3 C[C@@H](OC)CO 1P0037UW [2,0,0,0,0,0|2,0,0]=4 295 B5R0.3 C[C@H](NC)CO 1P01B9S4 [2,0,0,0,0,0|2,0,0]=4 296 B5R0.3 C[C@H](NC)CO 1P01B9VN [2,0,0,0,0,0|2,0,0]=4 297 B5R0.3 C[C@H](OC)CO 1P000CX7 [2,0,0,0,0,0|2,0,0]=4 298 B5R0.3 ClCC(CBr)C 1P003BHV [2,0,0,0,0,0|2,0,0]=4 299 B5R0.3 ClCC(CCl)O 1P003DZY [2,0,0,0,0,0|2,0,0]=4 300 B5R0.3 ClC[C@@H](CI)O 1P01JUXC [2,0,0,0,0,0|2,0,0]=4 301 B5R0.3 FCC(CBr)O 1P00C2KE [2,0,0,0,0,0|2,0,0]=4 302 B5R0.3 FCC(CF)N 1P00ID5D [2,0,0,0,0,0|2,0,0]=4 303 B5R0.3 FCC(CF)O 1P003E0C [2,0,0,0,0,0|2,0,0]=4 304 B5R0.3 FC[C@@H](CCl)O 1P002ELU [2,0,0,0,0,0|2,0,0]=4 305 B5R0.3 FC[C@H](CCl)O 1P0280YH [2,0,0,0,0,0|2,0,0]=4 306 B5R0.3 ICC(CI)C 1P00B6JV [2,0,0,0,0,0|2,0,0]=4 307 B5R0.3 NC(C#C)CO 1P01API1 [2,0,0,0,0,0|1,0,1]=4 308 B5R0.3 NC(C#N)CO 1P01ACIC [2,0,0,0,0,0|1,0,1]=4 309 B5R0.3 NC(C=C)CO 1P01BCLD [2,0,0,0,0,0|1,0,1]=4 310 B5R0.3 NCC(CCl)C 1P00IKCJ [2,0,0,0,0,0|2,0,0]=4 311 B5R0.3 NCC(CCl)O 1P0037I9 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.3 NCC(CF)O 1P019GLG [2,0,0,0,0,0|2,0,0]=4 313 B5R0.3 NCC(CN)C 1P003I1P [2,0,0,0,0,0|2,0,0]=4 314 B5R0.3 NCC(CN)N 1P019TGA [2,0,0,0,0,0|2,0,0]=4 315 B5R0.3 NCC(CN)O 1P00IBCX [2,0,0,0,0,0|2,0,0]=4 316 B5R0.3 NCC(CO)C 1P001O5X [2,0,0,0,0,0|1,0,0]=3 317 B5R0.3 NCC(CO)C 1P006JX9 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.3 NCC(CO)F 1P0053A7 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.3 NCC(CO)F 1P021X21 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.3 NCC(CO)N 1P01AG38 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.3 NCC(CO)O 1P0032RQ [2,0,0,0,0,0|1,0,0]=3 322 B5R0.3 NC[C@@H](CCl)O 1P00BY10 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.3 NC[C@@H](CO)C 1P00IFOF [2,0,0,0,0,0|1,0,0]=3 324 B5R0.3 NC[C@@H](CO)F 1P00ILF4 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.3 NC[C@@H](CO)F 1P023OS0 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.3 NC[C@@H](CO)N 1P01A5TP [2,0,0,0,0,0|1,0,0]=3 327 B5R0.3 NC[C@@H](CO)O 1P002KW4 [2,0,0,0,0,0|1,0,0]=3 328 B5R0.3 NC[C@@H](CO)O 1P003VXC [2,0,0,0,0,0|1,0,0]=3 329 B5R0.3 NC[C@H](CCl)O 1P00CNP3 [2,0,0,0,0,0|2,0,0]=4 330 B5R0.3 NC[C@H](CO)C 1P007F3A [2,0,0,0,0,0|1,0,0]=3 331 B5R0.3 NC[C@H](CO)C 1P028ZRU [2,0,0,0,0,0|1,0,0]=3 332 B5R0.3 NC[C@H](CO)F 1P00ILHM [2,0,0,0,0,0|2,0,0]=4 333 B5R0.3 NC[C@H](CO)N 1P01A7EX [2,0,0,0,0,0|1,0,0]=3 334 B5R0.3 NC[C@H](CO)O 1P003CQ6 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.3 N[C@@H](C=C)CO 1P00BDW2 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.3 N[C@H](C=C)CO 1P00C07G [2,0,0,0,0,0|1,0,1]=4 337 B5R0.3 OC(C=C)CO 1P003374 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.3 OCC(=C)CO 1P0036EB [2,0,0,0,0,0|0,0,2]=4 339 B5R0.3 OCC(=O)CO 1P00332C [2,0,0,0,0,0|0,0,2]=4 340 B5R0.3 OCC(C=O)O 1P00BEK0 [2,0,0,0,0,0|0,0,2]=4 341 B5R0.3 OCC(CBr)Br 1P006T5M [2,0,0,0,0,0|2,0,0]=4 342 B5R0.3 OCC(CBr)C 1P0075IM [2,0,0,0,0,0|1,0,0]=3 343 B5R0.3 OCC(CBr)F 1P01E7KF [2,0,0,0,0,0|2,0,0]=4 344 B5R0.3 OCC(CBr)O 1P00DF5A [2,0,0,0,0,0|1,0,0]=3 345 B5R0.3 OCC(CCl)Cl 1P003FXP [2,0,0,0,0,0|2,0,0]=4 346 B5R0.3 OCC(CCl)O 1P0036LI [2,0,0,0,0,0|1,0,0]=3 347 B5R0.3 OCC(CF)F 1P01PCWA [2,0,0,0,0,0|2,0,0]=4 348 B5R0.3 OCC(CO)C 1P003I1Q [2,0,0,0,0,0|0,0,0]=2 349 B5R0.3 OCC(CO)Cl 1P00DFIC [2,0,0,0,0,0|1,0,0]=3 350 B5R0.3 OCC(CO)N 1P0033JG [2,0,0,0,0,0|0,0,0]=2 351 B5R0.3 OCC(CO)N 1P003UPC [2,0,0,0,0,0|0,0,0]=2 352 B5R0.3 OCC(CO)O 1P002TPL [2,0,0,0,0,0|0,0,0]=2 353 B5R0.3 OCC(CO)O 1P0035FJ [2,0,0,0,0,0|0,0,0]=2 354 B5R0.3 OCC(CO)O 1P00GV8Q [2,0,0,0,0,0|0,0,0]=2 355 B5R0.3 OCC(CS)C 1P019SMR [2,0,0,0,0,0|0,1,0]=3 356 B5R0.3 OCC(CS)O 1P006SH0 [2,0,0,0,0,0|0,1,0]=3 357 B5R0.3 OCC(CS)S 1P003FZZ [2,0,0,0,0,0|0,2,0]=4 358 B5R0.3 OCC(NN)C 1P00J08R [2,0,0,0,0,0|2,0,0]=4 359 B5R0.3 OC[C@@H](CBr)C 1P003CXU [2,0,0,0,0,0|1,0,0]=3 360 B5R0.3 OC[C@@H](CBr)O 1P0013UE [2,0,0,0,0,0|1,0,0]=3 361 B5R0.3 OC[C@@H](CCl)O 1P00IB7Z [2,0,0,0,0,0|1,0,0]=3 362 B5R0.3 OC[C@@H](CF)N 1P02032H [2,0,0,0,0,0|1,0,0]=3 363 B5R0.3 OC[C@@H](CF)O 1P00I73B [2,0,0,0,0,0|1,0,0]=3 364 B5R0.3 OC[C@@H](CS)O 1P008RHS [2,0,0,0,0,0|0,1,0]=3 365 B5R0.3 OC[C@H](CBr)C 1P003CKN [2,0,0,0,0,0|1,0,0]=3 366 B5R0.3 OC[C@H](CBr)O 1P001JW1 [2,0,0,0,0,0|1,0,0]=3 367 B5R0.3 OC[C@H](CCl)O 1P003CJQ [2,0,0,0,0,0|1,0,0]=3 368 B5R0.3 OC[C@H](CF)N 1P02032G [2,0,0,0,0,0|1,0,0]=3 369 B5R0.3 OC[C@H](CF)O 1P00D1EW [2,0,0,0,0,0|1,0,0]=3 370 B5R0.3 OC[C@H](CS)O 1P001VNE [2,0,0,0,0,0|0,1,0]=3 371 B5R0.3 OC\C(=N\O)\N 1P00J374 [2,0,0,0,0,0|1,0,1]=4 372 B5R0.3 O[C@@H](C=C)CO 1P0032XQ [2,0,0,0,0,0|1,0,1]=4 373 B5R0.3 O[C@@H](C=O)CO 1P003POB [2,0,0,0,0,0|0,0,2]=4 374 B5R0.3 O[C@H](C=O)CO 1P00DEET [2,0,0,0,0,0|0,0,2]=4 375 B5R0.3 SCC(CS)N 1P01QN6R [2,0,0,0,0,0|0,2,0]=4 376 B5R0.4 BrCC(Br)(C)C 1P003DU7 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.4 BrCC(C)(C)C 1P003EJC [2,0,0,0,0,0|2,0,0]=4 378 B5R0.4 BrCC(F)(C)C 1P002C53 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.4 BrCC(N)(C)C 1P01A4SE [2,0,0,0,0,0|1,0,0]=3 380 B5R0.4 BrCC(O)(C)C 1P0039NU [2,0,0,0,0,0|2,0,0]=4 381 B5R0.4 C#CC(N)(C)C 1P007KSA [2,0,0,0,0,0|1,0,1]=4 382 B5R0.4 C=CC(N)(C)C 1P01EMG2 [2,0,0,0,0,0|1,0,1]=4 383 B5R0.4 CCC(C)(C)[O-] 1P003UC5 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.4 CCC(Cl)(C)C 1P003BNH [2,0,0,0,0,0|2,0,0]=4 385 B5R0.4 CCC(I)(C)C 1P00EBFU [2,0,0,0,0,0|2,0,0]=4 386 B5R0.4 CCC(N)(C)C 1P003UZC [2,0,0,0,0,0|1,0,0]=3 387 B5R0.4 CCC(O)(C)C 1P001DZE [2,0,0,0,0,0|2,0,0]=4 388 B5R0.4 CCC(O)(C)C 1P0033UL [2,0,0,0,0,0|2,0,0]=4 389 B5R0.4 ClCC(C)(C)C 1P003TFH [2,0,0,0,0,0|2,0,0]=4 390 B5R0.4 ClCC(Cl)(C)C 1P003DUU [2,0,0,0,0,0|2,0,0]=4 391 B5R0.4 ClCC(N)(C)C 1P01BVY9 [2,0,0,0,0,0|1,0,0]=3 392 B5R0.4 ClCC(O)(C)C 1P00337C [2,0,0,0,0,0|2,0,0]=4 393 B5R0.4 FCC(N)(C)C 1P003BDH [2,0,0,0,0,0|1,0,0]=3 394 B5R0.4 FCC(O)(C)C 1P01EC41 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.4 ICC(C)(C)C 1P001O15 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.4 ICC(F)(C)C 1P00I44K [2,0,0,0,0,0|2,0,0]=4 397 B5R0.4 ICC(O)(C)C 1P00BV3U [2,0,0,0,0,0|2,0,0]=4 398 B5R0.4 N#CC(N)(C)C 1P0036JL [2,0,0,0,0,0|1,0,1]=4 399 B5R0.4 N#CC(N)(C)C 1P00AP57 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.4 NCC(Br)(C)C 1P01HK2M [2,0,0,0,0,0|2,0,0]=4 401 B5R0.4 NCC(C)(C)C 1P001R1E [2,0,0,0,0,0|2,0,0]=4 402 B5R0.4 NCC(C)(C)C 1P003TFK [2,0,0,0,0,0|2,0,0]=4 403 B5R0.4 NCC(Cl)(C)C 1P028NZO [2,0,0,0,0,0|2,0,0]=4 404 B5R0.4 NCC(F)(C)C 1P003B8M [2,0,0,0,0,0|2,0,0]=4 405 B5R0.4 NCC(N)(C)C 1P003316 [2,0,0,0,0,0|1,0,0]=3 406 B5R0.4 NCC(N)(C)C 1P00ASB1 [2,0,0,0,0,0|1,0,0]=3 407 B5R0.4 NCC(O)(C)C 1P002W4M [2,0,0,0,0,0|2,0,0]=4 408 B5R0.4 NCC(S)(C)C 1P00334Y [2,0,0,0,0,0|2,0,0]=4 409 B5R0.4 OCC(Br)(C)C 1P01ANW5 [2,0,0,0,0,0|1,0,0]=3 410 B5R0.4 OCC(C)(C)C 1P003TFF [2,0,0,0,0,0|1,0,0]=3 411 B5R0.4 OCC(F)(C)C 1P0032KV [2,0,0,0,0,0|1,0,0]=3 412 B5R0.4 OCC(F)(F)C 1P003FRM [2,0,0,0,0,0|2,0,0]=4 413 B5R0.4 OCC(N)(C)C 1P0033JI [2,0,0,0,0,0|0,0,0]=2 414 B5R0.4 OCC(N)(C)C 1P003ABP [2,0,0,0,0,0|0,0,0]=2 415 B5R0.4 OCC(O)(C)C 1P0033V2 [2,0,0,0,0,0|1,0,0]=3 416 B5R0.4 OCC(S)(C)C 1P00FI08 [2,0,0,0,0,0|1,0,0]=3 417 B5R0.4 OC[Si](C)(C)C 1P00BZAP [2,0,0,0,0,0|1,1,0]=4 418 B5R0.4 ONC(C)(C)C 1P001X84 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.4 ONC(C)(C)C 1P0035VQ [2,0,0,0,0,0|2,0,0]=4 420 B5R0.4 ONC(C)(C)C 1P003SWA [2,0,0,0,0,0|2,0,0]=4 421 B5R0.4 OOC(C)(C)C 1P0059OU [2,0,0,0,0,0|2,0,0]=4 422 B5R0.4 SCC(C)(C)C 1P007W5C [2,0,0,0,0,0|1,1,0]=4 423 B5R0.4 SCC(N)(C)C 1P01I4GG [2,0,0,0,0,0|0,1,0]=3 424 B5R0.4 SCC(O)(C)C 1P001ME2 [2,0,0,0,0,0|1,1,0]=4 425 B7R0.11 BrCC(COC)(C)C 1P01BSDO [1,1,0,0,0,0|2,0,0]=4 426 B7R0.11 CC(C#N)(COC)N 1P01A0GF [1,1,0,0,0,0|1,0,1]=4 427 B7R0.11 CC(CN)(COC)F 1P01C7OJ [1,1,0,0,0,0|2,0,0]=4 428 B7R0.11 CC(CN)(COC)N 1P01AISX [1,1,0,0,0,0|1,0,0]=3 429 B7R0.11 CC(CN)(COC)O 1P01AI37 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.11 CC(CO)(CC#N)O 1P028R41 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.11 CC(CO)(COC)N 1P019YQE [1,1,0,0,0,0|0,0,0]=2 432 B7R0.11 CC(CO)(COC)N 1P01C0I7 [1,1,0,0,0,0|0,0,0]=2 433 B7R0.11 CC(CO)(CSC)N 1P028RDX [1,1,0,0,0,0|0,1,0]=3 434 B7R0.11 CCCC(CC)(N)C 1P0282OG [1,1,0,0,0,0|2,0,0]=4 435 B7R0.11 CCCC(CN)(N)C 1P01AKU0 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.11 CCCC(CO)(C)C 1P002ONM [1,1,0,0,0,0|2,0,0]=4 437 B7R0.11 CCCC(CO)(N)C 1P01AJBB [1,1,0,0,0,0|1,0,0]=3 438 B7R0.11 CCCC(CO)(S)C 1P007O0M [1,1,0,0,0,0|2,0,0]=4 439 B7R0.11 CCNC(CO)(C)C 1P00G55J [1,1,0,0,0,0|2,0,0]=4 440 B7R0.11 CCNC(CO)(C)C 1P00J3H2 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.11 CCOC(CO)(C)C 1P01DWPL [1,1,0,0,0,0|2,0,0]=4 442 B7R0.11 COCC(CC)(N)C 1P028RY8 [1,1,0,0,0,0|1,0,0]=3 443 B7R0.11 FCCC(CO)(N)C 1P01BV4Q [1,1,0,0,0,0|1,0,0]=3 444 B7R0.11 NCC(COC)(C)C 1P008PWU [1,1,0,0,0,0|2,0,0]=4 445 B7R0.11 NCC(COC)(C)C 1P00AEHI [1,1,0,0,0,0|2,0,0]=4 446 B7R0.11 NCCC(CO)(C)C 1P01ANTY [1,1,0,0,0,0|2,0,0]=4 447 B7R0.11 OCC(CC#C)(C)C 1P00HBH5 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.11 OCC(CC#N)(C)C 1P007O1H [1,1,0,0,0,0|2,0,0]=4 449 B7R0.11 OCC(CC=C)(C)C 1P00CMKH [1,1,0,0,0,0|2,0,0]=4 450 B7R0.11 OCC(CNC)(C)C 1P001SF0 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.11 OCC(CNN)(C)C 1P01BHXU [1,1,0,0,0,0|2,0,0]=4 452 B7R0.11 OCC(COC)(C)C 1P00EGBQ [1,1,0,0,0,0|1,0,0]=3 453 B7R0.11 OCC(COC)(F)F 1P01BJFW [1,1,0,0,0,0|2,0,0]=4 454 B7R0.11 OCC(CSC)(C)C 1P01AMHB [1,1,0,0,0,0|1,1,0]=4 455 B7R0.11 OCCC(CBr)(C)C 1P028GVY [1,1,0,0,0,0|2,0,0]=4 456 B7R0.11 OCCC(CC)(C)C 1P002GN9 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.11 OCCC(CC)(O)C 1P01C8KN [1,1,0,0,0,0|2,0,0]=4 458 B7R0.11 OCCC(CN)(C)C 1P019TC5 [1,1,0,0,0,0|2,0,0]=4 459 B7R0.11 OCCC(CN)(C)C 1P024N4Q [1,1,0,0,0,0|2,0,0]=4 460 B7R0.11 OCCC(CN)(O)C 1P028L6M [1,1,0,0,0,0|2,0,0]=4 461 B7R0.11 OCCC(CO)(C)C 1P007J71 [1,1,0,0,0,0|1,0,0]=3 462 B7R0.11 OCCC(CO)(F)F 1P01DXR1 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.11 OCCC(CO)(O)C 1P003I5J [1,1,0,0,0,0|1,0,0]=3 464 B7R0.11 OCC[C@@](CO)(O)C 1P01EIRB [1,1,0,0,0,0|1,0,0]=3 465 B7R0.11 SCC(COC)(C)C 1P0280ZE [1,1,0,0,0,0|1,1,0]=4 466 B7R0.13 CC(C(=O)O)(CC)N 1P0072LM [1,1,0,0,0,0|1,0,1]=4 467 B7R0.13 CC(C(=O)O)(CC)N 1P00FJ8C [1,1,0,0,0,0|1,0,1]=4 468 B7R0.13 CCC(C(F)F)(N)C 1P028BCK [1,1,0,0,0,0|2,0,0]=4 469 B7R0.13 CCC(C(O)C)(O)C 1P00F6HA [1,1,0,0,0,0|2,0,0]=4 470 B7R0.13 C[C@@](C(=O)O)(CC)N 1P00E3LH [1,1,0,0,0,0|1,0,1]=4 471 B7R0.13 C[C@@](C(=O)O)(CS)N 1P001LN9 [1,1,0,0,0,0|0,1,1]=4 472 B7R0.13 C[C@](C(=O)O)(CC)N 1P00313O [1,1,0,0,0,0|1,0,1]=4 473 B7R0.13 C[C@](C(=O)O)(CS)N 1P001NIA [1,1,0,0,0,0|0,1,1]=4 474 B7R0.13 NCC(C(=O)O)(N)C 1P01BAYD [1,1,0,0,0,0|1,0,1]=4 475 B7R0.13 NCC(C(C)C)(N)C 1P01AIUV [1,1,0,0,0,0|2,0,0]=4 476 B7R0.13 NCC(C(O)C)(C)C 1P01BMVC [1,1,0,0,0,0|2,0,0]=4 477 B7R0.13 NC[C@@](C(=O)O)(N)C 1P027XE1 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.13 OCC(C(=O)O)(C)C 1P003K1K [1,1,0,0,0,0|1,0,1]=4 479 B7R0.13 OCC(C(=O)O)(N)C 1P003GUB [1,1,0,0,0,0|0,0,1]=3 480 B7R0.13 OCC(C(=O)O)(N)C 1P01C1TD [1,1,0,0,0,0|0,0,1]=3 481 B7R0.13 OCC(C(=O)O)(O)C 1P0033EN [1,1,0,0,0,0|1,0,1]=4 482 B7R0.13 OCC(C(C)C)(C)C 1P01BEH2 [1,1,0,0,0,0|2,0,0]=4 483 B7R0.13 OCC(C(C)C)(N)C 1P01BC2P [1,1,0,0,0,0|1,0,0]=3 484 B7R0.13 OCC(C(C)C)(O)C 1P006L5M [1,1,0,0,0,0|2,0,0]=4 485 B7R0.13 OCC(C(F)F)(C)C 1P00SGKW [1,1,0,0,0,0|2,0,0]=4 486 B7R0.13 OCC(C(F)F)(N)C 1P028LWJ [1,1,0,0,0,0|1,0,0]=3 487 B7R0.13 OCC(C(N)C)(C)C 1P01FIC8 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.13 OCC(C(O)C)(O)C 1P01DWRZ [1,1,0,0,0,0|1,0,0]=3 489 B7R0.13 OC[C@@](C(=O)O)(N)C 1P001YE4 [1,1,0,0,0,0|0,0,1]=3 490 B7R0.13 OC[C@](C(=O)O)(N)C 1P0055UM [1,1,0,0,0,0|0,0,1]=3 491 B7R0.12 BrCCC(CO)CO 1P024WLU [1,1,0,0,0,0|1,0,0]=3 492 B7R0.12 C=CCC(CO)CN 1P01A4P9 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.12 CCCC(CO)CO 1P002S7Z [1,1,0,0,0,0|1,0,0]=3 494 B7R0.12 CCNC(CO)CO 1P0291JP [1,1,0,0,0,0|1,0,0]=3 495 B7R0.12 CCN[C@H](CO)CC 1P0056F3 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.12 CCOC(CBr)CO 1P027VUQ [1,1,0,0,0,0|2,0,0]=4 497 B7R0.12 CCOC(CCl)CO 1P027VHO [1,1,0,0,0,0|2,0,0]=4 498 B7R0.12 CCOC(CO)CN 1P01A220 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.12 COC[C@@H](CO)OC 1P01EN7E [1,1,0,0,0,0|2,0,0]=4 500 B7R0.12 COC[C@H](CO)OC 1P01DW5X [1,1,0,0,0,0|2,0,0]=4 501 B7R0.12 NCCC(CO)CC 1P027UYA [1,1,0,0,0,0|2,0,0]=4 502 B7R0.12 NCCC(CO)CO 1P008504 [1,1,0,0,0,0|1,0,0]=3 503 B7R0.12 NCCC(CO)CO 1P01XFH7 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.12 OCC(CC#C)CO 1P023PCH [1,1,0,0,0,0|1,0,0]=3 505 B7R0.12 OCC(CNC)CO 1P01A4DE [1,1,0,0,0,0|1,0,0]=3 506 B7R0.12 OCC(CNC)CO 1P01FKW5 [1,1,0,0,0,0|1,0,0]=3 507 B7R0.12 OCC(COC)CO 1P027XP3 [1,1,0,0,0,0|0,0,0]=2 508 B7R0.12 OCC(NC=O)CO 1P028XSE [1,1,0,0,0,0|0,0,2]=4 509 B7R0.12 OCCC(CC)CC 1P00FCD9 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.12 OCCC(CN)CC 1P019ZGA [1,1,0,0,0,0|2,0,0]=4 511 B7R0.15 CCC(C(C)C)CO 1P00CLUO [1,1,0,0,0,0|2,0,0]=4 512 B7R0.15 NCC(C(C)C)CO 1P00J2TF [1,1,0,0,0,0|2,0,0]=4 513 B7R0.15 NC[C@@H](C(=O)O)CO 1P0016D0 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.15 OCC(C(=O)O)CO 1P006JAW [1,1,0,0,0,0|0,0,1]=3 515 B7R0.15 OCC(C(C)C)CO 1P00I5FR [1,1,0,0,0,0|1,0,0]=3 516 B7R0.15 OCC(C(O)C)CO 1P006IIX [1,1,0,0,0,0|0,0,0]=2 517 B7R0.15 OCC(N(C)C)CO 1P00G8NK [1,1,0,0,0,0|2,0,0]=4 518 B7R0.15 OCC([N+](=O)[O-])CO 1P0027GJ [1,1,0,0,0,0|1,0,1]=4 519 B9R0.62 C=CCC(CO)(CO)CC 1P01B6WS [0,2,0,0,0,0|2,0,0]=4 520 B9R0.62 CNCC(CO)(CC)CC 1P005WY2 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.62 COCC(CN)(CC)CC 1P027UUC [0,2,0,0,0,0|2,0,0]=4 522 B9R0.62 OCCC(CN)(CC)CC 1P019TOM [0,2,0,0,0,0|2,0,0]=4 523 B9R0.78 CCC(C(=O)O)(CO)CO 1P0003T5 [0,2,0,0,0,0|1,0,1]=4 524 B9R0.78 OCC(N(C)C)(CO)CO 1P029324 [0,2,0,0,0,0|0,0,0]=2 525 B9R0.78 OCC([N+](=O)[O-])(CO)CO 1P000R4Y [0,2,0,0,0,0|0,0,1]=3 526 B9R0.59 COCC(COC)(CN)C 1P027WLR [0,2,0,0,0,0|2,0,0]=4 527 B9R0.59 COCC(COC)(CN)O 1P028GFU [0,2,0,0,0,0|2,0,0]=4 528 B9R0.59 OCCC(CCO)(CO)O 1P01IZAG [0,2,0,0,0,0|1,0,0]=3 529 B9R0.63 NCC(CC(=O)O)(CO)C 1P00VW4W [0,2,0,0,0,0|2,0,0]=4 530 B9R0.67 OCC(CN=[N+]=[N-])(CO)C 1P01AMFV [0,2,0,0,0,0|2,0,0]=4 531 B9R0.69 OCC(C(=O)OC)(CO)C 1P00AM8U [0,2,0,0,0,0|1,0,1]=4 532 B9R0.69 OCC(C(=O)OC)(CO)N 1P0282UC [0,2,0,0,0,0|0,0,1]=3 533 B9R0.74 COCC(C(=O)O)(CC)N 1P01AMQO [0,2,0,0,0,0|1,0,1]=4 534 B9R0.73 OCC(C(C)(C)C)(CO)C 1P00CDT8 [0,2,0,0,0,0|2,0,0]=4 535 B9R0.73 OCC(C(F)(F)F)(CO)N 1P01B791 [0,2,0,0,0,0|1,0,0]=3 536 B7R1.14 CC1(Br)COCC1 1P02820R [1,0,0,1,0,0|2,0,0]=4 537 B7R1.14 CC1(N)CC=CC1 1P01B2O1 [1,0,0,1,0,0|2,0,0]=4 538 B7R1.14 CC1(N)CCCC1 1P0006SW [1,0,0,1,0,0|2,0,0]=4 539 B7R1.14 CC1(N)CNCC1 1P01A362 [1,0,0,1,0,0|2,0,0]=4 540 B7R1.14 CC1(N)COCC1 1P000HHG [1,0,0,1,0,0|1,0,0]=3 541 B7R1.14 CC1(N)COCC1 1P01A377 [1,0,0,1,0,0|1,0,0]=3 542 B7R1.14 CC1(N)CSCC1 1P0285MP [1,0,0,1,0,0|1,1,0]=4 543 B7R1.14 CC1(O)COCC1 1P00IBTG [1,0,0,1,0,0|2,0,0]=4 544 B7R1.14 CC1(O)CONC1 1P01FI80 [1,0,0,1,0,0|2,0,0]=4 545 B7R1.14 C[C@@]1(O)CONC1 1P01OL7I [1,0,0,1,0,0|2,0,0]=4 546 B7R1.17 OC1CCC1(C)C 1P00ILQI [1,0,0,1,0,0|2,0,0]=4 547 B7R1.25 BrCC1(C)COC1 1P005BV8 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.25 BrCC1(F)COC1 1P00H37E [1,0,0,1,0,0|2,0,0]=4 549 B7R1.25 C#CC1(N)COC1 1P01XAGE [1,0,0,1,0,0|1,0,1]=4 550 B7R1.25 C=CC1(N)COC1 1P028NAB [1,0,0,1,0,0|1,0,1]=4 551 B7R1.25 CC1(CC)CCN1 1P0281X1 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.25 CC1(CO)CCN1 1P00HSYL [1,0,0,1,0,0|1,0,0]=3 553 B7R1.25 CC1(CO)CCO1 1P0037VL [1,0,0,1,0,0|2,0,0]=4 554 B7R1.25 CCC1(N)CCC1 1P019U6Z [1,0,0,1,0,0|2,0,0]=4 555 B7R1.25 CCC1(N)CNC1 1P00IEMG [1,0,0,1,0,0|2,0,0]=4 556 B7R1.25 CCC1(N)COC1 1P0014LB [1,0,0,1,0,0|1,0,0]=3 557 B7R1.25 CCC1(N)COC1 1P00HV1U [1,0,0,1,0,0|1,0,0]=3 558 B7R1.25 CCC1(O)COC1 1P00HWLL [1,0,0,1,0,0|2,0,0]=4 559 B7R1.25 C[C@@]1(CO)CCO1 1P0203OP [1,0,0,1,0,0|2,0,0]=4 560 B7R1.25 C[C@]1(CO)CCO1 1P020AZ6 [1,0,0,1,0,0|2,0,0]=4 561 B7R1.25 ClCC1(C)COC1 1P003INZ [1,0,0,1,0,0|2,0,0]=4 562 B7R1.25 ClCC1(N)CCC1 1P028BKO [1,0,0,1,0,0|2,0,0]=4 563 B7R1.25 FCC1(COC1)N 1P01FWPL [1,0,0,1,0,0|1,0,0]=3 564 B7R1.25 FCC1(N)CCC1 1P01C2XW [1,0,0,1,0,0|2,0,0]=4 565 B7R1.25 FCC1(N)COC1 1P02046M [1,0,0,1,0,0|1,0,0]=3 566 B7R1.25 FCC1(O)COC1 1P0208WI [1,0,0,1,0,0|2,0,0]=4 567 B7R1.25 ICC1(C)COC1 1P0079BN [1,0,0,1,0,0|2,0,0]=4 568 B7R1.25 ICC1(F)COC1 1P00125G [1,0,0,1,0,0|2,0,0]=4 569 B7R1.25 N#CC1(N)COC1 1P0023NJ [1,0,0,1,0,0|1,0,1]=4 570 B7R1.25 NCC1(C)COC1 1P000WQG [1,0,0,1,0,0|2,0,0]=4 571 B7R1.25 NCC1(C)COC1 1P0038JC [1,0,0,1,0,0|2,0,0]=4 572 B7R1.25 NCC1(F)COC1 1P00H063 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.25 NCC1(F)COC1 1P0293V4 [1,0,0,1,0,0|2,0,0]=4 574 B7R1.25 NCC1(N)CCC1 1P01BA7G [1,0,0,1,0,0|2,0,0]=4 575 B7R1.25 NCC1(N)COC1 1P0039OX [1,0,0,1,0,0|1,0,0]=3 576 B7R1.25 NCC1(N)COC1 1P01C0U2 [1,0,0,1,0,0|1,0,0]=3 577 B7R1.25 NCC1(O)COC1 1P000V0U [1,0,0,1,0,0|2,0,0]=4 578 B7R1.25 OCC1(Br)CCC1 1P028KH0 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.25 OCC1(C)CCC1 1P00I83X [1,0,0,1,0,0|2,0,0]=4 580 B7R1.25 OCC1(C)CNC1 1P001DXN [1,0,0,1,0,0|2,0,0]=4 581 B7R1.25 OCC1(C)CNC1 1P00J3CD [1,0,0,1,0,0|2,0,0]=4 582 B7R1.25 OCC1(C)COC1 1P003K18 [1,0,0,1,0,0|1,0,0]=3 583 B7R1.25 OCC1(C)CSC1 1P00F1GP [1,0,0,1,0,0|1,1,0]=4 584 B7R1.25 OCC1(F)CCC1 1P00HSH9 [1,0,0,1,0,0|2,0,0]=4 585 B7R1.25 OCC1(F)CNC1 1P000TT7 [1,0,0,1,0,0|2,0,0]=4 586 B7R1.25 OCC1(F)CNC1 1P00I0IE [1,0,0,1,0,0|2,0,0]=4 587 B7R1.25 OCC1(F)COC1 1P00GVAL [1,0,0,1,0,0|1,0,0]=3 588 B7R1.25 OCC1(N)CCC1 1P001AZ7 [1,0,0,1,0,0|1,0,0]=3 589 B7R1.25 OCC1(N)CCC1 1P002298 [1,0,0,1,0,0|1,0,0]=3 590 B7R1.25 OCC1(N)CNC1 1P028BCJ [1,0,0,1,0,0|1,0,0]=3 591 B7R1.25 OCC1(N)COC1 1P000V0W [1,0,0,1,0,0|0,0,0]=2 592 B7R1.25 OCC1(N)COC1 1P0289Q0 [1,0,0,1,0,0|0,0,0]=2 593 B7R1.25 OCC1(O)CCC1 1P005JC6 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.25 OCC1(O)CNC1 1P00I3J4 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.25 OCC1(O)CNC1 1P01ANQ0 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.25 OCC1(O)COC1 1P001WQR [1,0,0,1,0,0|1,0,0]=3 597 B7R1.25 SCC1(C)COC1 1P00F73I [1,0,0,1,0,0|1,1,0]=4 598 B7R1.27 CC1(CO)CC1Br 1P00CSWU [1,0,0,1,0,0|2,0,0]=4 599 B7R1.27 CC1(CO)CC1F 1P01C4KB [1,0,0,1,0,0|2,0,0]=4 600 B7R1.27 C[C@@H]1C[C@@]1(F)CO 1P028UJ9 [1,0,0,1,0,0|2,0,0]=4 601 B7R1.29 CCC1(CO)CC1 1P01BI1Y [1,0,0,1,0,0|2,0,0]=4 602 B7R1.29 NCC1(CO)CC1 1P0037NC [1,0,0,1,0,0|2,0,0]=4 603 B7R1.29 NCC1(CO)CC1 1P00A3Y2 [1,0,0,1,0,0|2,0,0]=4 604 B7R1.29 OCC1(CBr)CC1 1P027L64 [1,0,0,1,0,0|2,0,0]=4 605 B7R1.29 OCC1(CF)CC1 1P00IFJB [1,0,0,1,0,0|2,0,0]=4 606 B7R1.29 OCC1(CO)CC1 1P0032RY [1,0,0,1,0,0|1,0,0]=3 607 B7R1.29 OCC1(CO)N=N1 1P021N7H [1,0,0,1,0,0|1,0,1]=4 608 B7R1.1 BrCC1COCC1 1P001WHG [1,0,0,1,0,0|2,0,0]=4 609 B7R1.1 BrC[C@@H]1COCC1 1P020LT7 [1,0,0,1,0,0|2,0,0]=4 610 B7R1.1 BrC[C@H]1COCC1 1P020LT9 [1,0,0,1,0,0|2,0,0]=4 611 B7R1.1 ClCC1COCC1 1P00GUC8 [1,0,0,1,0,0|2,0,0]=4 612 B7R1.1 ICC1COCC1 1P0038AU [1,0,0,1,0,0|2,0,0]=4 613 B7R1.1 NCC1COCC1 1P001WHF [1,0,0,1,0,0|2,0,0]=4 614 B7R1.1 NCC1COCC1 1P00APKV [1,0,0,1,0,0|2,0,0]=4 615 B7R1.1 NC[C@@H]1COCC1 1P001CGW [1,0,0,1,0,0|2,0,0]=4 616 B7R1.1 NC[C@@H]1COCC1 1P008RTI [1,0,0,1,0,0|2,0,0]=4 617 B7R1.1 NC[C@H]1COCC1 1P008RTH [1,0,0,1,0,0|2,0,0]=4 618 B7R1.1 NC[C@H]1COCC1 1P00IL9J [1,0,0,1,0,0|2,0,0]=4 619 B7R1.1 OCC1CC=CC1 1P002R0D [1,0,0,1,0,0|2,0,0]=4 620 B7R1.1 OCC1CCCC1 1P00354O [1,0,0,1,0,0|2,0,0]=4 621 B7R1.1 OCC1CCON1 1P01EKGH [1,0,0,1,0,0|2,0,0]=4 622 B7R1.1 OCC1CNCC1 1P001L6R [1,0,0,1,0,0|2,0,0]=4 623 B7R1.1 OCC1CNCC1 1P003KD2 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.1 OCC1CNCC1 1P00EB7Y [1,0,0,1,0,0|2,0,0]=4 625 B7R1.1 OCC1CNNC1 1P0280T1 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.1 OCC1COCC1 1P001QLQ [1,0,0,1,0,0|1,0,0]=3 627 B7R1.1 OCC1COCO1 1P00IA87 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.1 OCC1CSCC1 1P01A0OB [1,0,0,1,0,0|1,1,0]=4 629 B7R1.1 OC[C@@H]1CNCC1 1P000ZXR [1,0,0,1,0,0|2,0,0]=4 630 B7R1.1 OC[C@@H]1CNCC1 1P003D28 [1,0,0,1,0,0|2,0,0]=4 631 B7R1.1 OC[C@@H]1COCC1 1P009DDU [1,0,0,1,0,0|1,0,0]=3 632 B7R1.1 OC[C@H]1CNCC1 1P000JI5 [1,0,0,1,0,0|2,0,0]=4 633 B7R1.1 OC[C@H]1CNCC1 1P003CQ3 [1,0,0,1,0,0|2,0,0]=4 634 B7R1.1 OC[C@H]1COCC1 1P000MEF [1,0,0,1,0,0|1,0,0]=3 635 B7R1.1 ONC1COCC1 1P01BCYW [1,0,0,1,0,0|2,0,0]=4 636 B7R1.1 SCC1COCC1 1P00DKQ0 [1,0,0,1,0,0|1,1,0]=4 637 B7R1.8 C[C@@H]1CC[C@@H]1CO 1P029257 [1,0,0,1,0,0|2,0,0]=4 638 B7R1.8 NC[C@@H]1CC[C@@H]1O 1P028HUW [1,0,0,1,0,0|2,0,0]=4 639 B7R1.8 NC[C@@H]1CC[C@H]1O 1P028W6T [1,0,0,1,0,0|2,0,0]=4 640 B7R1.8 NC[C@H]1CC[C@@H]1O 1P027WNT [1,0,0,1,0,0|2,0,0]=4 641 B7R1.8 NC[C@H]1CC[C@H]1O 1P027WVA [1,0,0,1,0,0|2,0,0]=4 642 B7R1.8 N[C@@H]1CC[C@@H]1CO 1P028PD3 [1,0,0,1,0,0|2,0,0]=4 643 B7R1.8 N[C@@H]1CC[C@H]1CO 1P028FJ7 [1,0,0,1,0,0|2,0,0]=4 644 B7R1.8 OCC1CCC1F 1P01DXWO [1,0,0,1,0,0|2,0,0]=4 645 B7R1.8 OC[C@@H]1CC[C@H]1O 1P027UXG [1,0,0,1,0,0|1,0,0]=3 646 B7R1.8 OC[C@@H]1NC[C@H]1O 1P028XO4 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.8 O[C@@H]1CC[C@@H]1CS 1P0284U2 [1,0,0,1,0,0|1,1,0]=4 648 B7R1.8 O[C@@H]1CC[C@H]1CS 1P0284O0 [1,0,0,1,0,0|1,1,0]=4 649 B9R1.204 CCC1(CN)COCC1 1P028TW2 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.204 CCC1(CO)CCCN1 1P008W3H [0,1,0,1,0,0|2,0,0]=4 651 B9R1.204 CCC1(CO)CNCC1 1P02812H [0,1,0,1,0,0|2,0,0]=4 652 B9R1.204 CNC1(CN)COCC1 1P01EKHJ [0,1,0,1,0,0|2,0,0]=4 653 B9R1.204 CNC1(CO)COCC1 1P01A6D3 [0,1,0,1,0,0|1,0,0]=3 654 B9R1.204 COC1(CO)COCC1 1P01C5BY [0,1,0,1,0,0|2,0,0]=4 655 B9R1.204 NCC1(CO)CC=CC1 1P027WUN [0,1,0,1,0,0|2,0,0]=4 656 B9R1.204 NCC1(CO)CC=CC1 1P028LEJ [0,1,0,1,0,0|2,0,0]=4 657 B9R1.204 NCC1(CO)CCCC1 1P006YM3 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.204 NCC1(CO)CCCC1 1P01A6F1 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.204 NCC1(CO)COCC1 1P01BMW9 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.204 NCC1(CO)CSSC1 1P028X8N [0,1,0,1,0,0|0,2,0]=4 661 B9R1.204 OCC1(C#N)COCC1 1P01C69V [0,1,0,1,0,0|1,0,1]=4 662 B9R1.204 OCC1(CO)CC=CC1 1P005GL7 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.204 OCC1(CO)CCCC1 1P00ECX1 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.204 OCC1(CO)CCCN1 1P01DZQ7 [0,1,0,1,0,0|1,0,0]=3 665 B9R1.204 OCC1(CO)CCCO1 1P007NB6 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.204 OCC1(CO)CNCC1 1P01B74R [0,1,0,1,0,0|1,0,0]=3 667 B9R1.204 OCC1(CO)CSSC1 1P007UJ2 [0,1,0,1,0,0|1,1,0]=4 668 B9R1.204 OCC1(NC)CCCC1 1P01AAV7 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.94 OCC1(CO)CC1C=C 1P0007G8 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.118 CC1(CO)COCCN1 1P0097QA [0,1,0,1,0,0|2,0,0]=4 671 B9R1.118 CC1(CO)COCCN1 1P01A62R [0,1,0,1,0,0|2,0,0]=4 672 B9R1.118 CC1(CO)COCCO1 1P01XH9W [0,1,0,1,0,0|2,0,0]=4 673 B9R1.118 CCC1(N)CCOCC1 1P00197R [0,1,0,1,0,0|2,0,0]=4 674 B9R1.118 ClCC1(N)CCOCC1 1P0284LW [0,1,0,1,0,0|2,0,0]=4 675 B9R1.118 FCC1(N)CCOCC1 1P01APOG [0,1,0,1,0,0|2,0,0]=4 676 B9R1.118 NCC1(N)CCOCC1 1P00DLHQ [0,1,0,1,0,0|2,0,0]=4 677 B9R1.118 OCC1(C)CCCOC1 1P01B7WZ [0,1,0,1,0,0|2,0,0]=4 678 B9R1.118 OCC1(C)CCOCC1 1P003KP8 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.118 OCC1(Cl)CCOCC1 1P01B976 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.118 OCC1(F)CCCOC1 1P00HYSD [0,1,0,1,0,0|2,0,0]=4 681 B9R1.118 OCC1(F)CCOCC1 1P00H065 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.118 OCC1(N)CCCCC1 1P00DDF1 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.118 OCC1(N)CCCCC1 1P00DKCR [0,1,0,1,0,0|2,0,0]=4 684 B9R1.118 OCC1(N)CCCOC1 1P020LC5 [0,1,0,1,0,0|1,0,0]=3 685 B9R1.118 OCC1(N)CCNCC1 1P019UEH [0,1,0,1,0,0|2,0,0]=4 686 B9R1.118 OCC1(N)CCOCC1 1P003CB4 [0,1,0,1,0,0|1,0,0]=3 687 B9R1.118 OCC1(N)CCOCC1 1P00ILCN [0,1,0,1,0,0|1,0,0]=3 688 B9R1.118 OCC1(N)CCSCC1 1P003CB5 [0,1,0,1,0,0|1,1,0]=4 689 B9R1.118 OCC1(N)CCSCC1 1P01C2XI [0,1,0,1,0,0|1,1,0]=4 690 B9R1.118 OCC1(O)CCOCC1 1P01B68K [0,1,0,1,0,0|2,0,0]=4 691 B9R1.124 OCC1(CO)CC(=C)C1 1P027MSC [0,1,0,1,0,0|2,0,0]=4 692 B9R1.124 OCC1(CO)CC(=O)C1 1P00I67J [0,1,0,1,0,0|1,0,1]=4 693 B9R1.124 OCC1(CO)CC(C1)F 1P01XAAC [0,1,0,1,0,0|2,0,0]=4 694 B9R1.124 OCC1(CO)CC(C1)N 1P0098SG [0,1,0,1,0,0|2,0,0]=4 695 B9R1.124 OCC1(CO)CC(C1)O 1P00I0D7 [0,1,0,1,0,0|1,0,0]=3 696 B9R1.125 OCC1(C)COC(=O)C1 1P0291OR [0,1,0,1,0,0|1,0,1]=4 697 B9R1.125 OCC1(N)CCC(C1)C 1P028X4E [0,1,0,1,0,0|2,0,0]=4 698 B9R1.125 OCC1(O)COC(=O)C1 1P0292BA [0,1,0,1,0,0|1,0,1]=4 699 B9R1.134 C=CCC1(N)COCC1 1P027TRO [0,1,0,1,0,0|2,0,0]=4 700 B9R1.134 COCC1(N)CC=CC1 1P01EMHT [0,1,0,1,0,0|2,0,0]=4 701 B9R1.134 COCC1(N)CCCC1 1P00FN2M [0,1,0,1,0,0|2,0,0]=4 702 B9R1.134 COCC1(N)CCCC1 1P00IIM0 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.134 COCC1(N)COCC1 1P01C2S4 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.134 COCC1(N)COCC1 1P01C2S5 [0,1,0,1,0,0|1,0,0]=3 705 B9R1.134 OCCC1(C)COCC1 1P027UYO [0,1,0,1,0,0|2,0,0]=4 706 B9R1.134 OCCC1(N)CCCC1 1P01BAGI [0,1,0,1,0,0|2,0,0]=4 707 B9R1.134 OCCC1(N)COCC1 1P01BFCH [0,1,0,1,0,0|1,0,0]=3 708 B9R1.175 BrCC1(COC)COC1 1P028Z8H [0,1,0,1,0,0|2,0,0]=4 709 B9R1.175 NCC1(COC)COC1 1P02905Y [0,1,0,1,0,0|2,0,0]=4 710 B9R1.175 OCC1(CCC1)COC 1P01BCR6 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.175 OCC1(CNC)COC1 1P01XA82 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.175 OCC1(COC)COC1 1P02052A [0,1,0,1,0,0|1,0,0]=3 713 B9R1.175 OCC1(COC1)CC#N 1P0070R0 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.175 OCC1(COC1)CC=C 1P00A2NI [0,1,0,1,0,0|2,0,0]=4 715 B9R1.175 OCCC1(CO)CCC1 1P028KQY [0,1,0,1,0,0|2,0,0]=4 716 B9R1.119 OCC1(COC1)C(=O)O 1P0014LY [0,1,0,1,0,0|1,0,1]=4 717 B9R1.119 OCC1(COC1)C(C)C 1P01BIFS [0,1,0,1,0,0|2,0,0]=4 718 B9R1.119 OCC1(COC1)C(F)F 1P001BC3 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.163 FC(C1(N)COCC1)F 1P028SLM [0,1,0,1,0,0|2,0,0]=4 720 B9R1.163 OC(=O)C1(N)COCC1 1P000NT7 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.163 OC(=O)C1(N)COCC1 1P00692S [0,1,0,1,0,0|1,0,1]=4 722 B9R1.163 OC(=O)[C@@]1(N)COCC1 1P01DL2L [0,1,0,1,0,0|1,0,1]=4 723 B9R1.163 OC(=O)[C@]1(N)COCC1 1P00HT0K [0,1,0,1,0,0|1,0,1]=4 724 B9R1.205 OCC1(CO)CC1(C)C 1P01HYUW [0,1,0,1,0,0|2,0,0]=4 725 B9R1.205 OCC1(CO)CC1(F)F 1P00I4YN [0,1,0,1,0,0|2,0,0]=4 726 B9R2.56 OCC12COCC1C2 1P01B68W [0,0,0,2,0,0|2,0,0]=4 727 B9R2.56 OC[C@@]12COC[C@@H]1C2 1P0204YG [0,0,0,2,0,0|2,0,0]=4 728 B9R2.56 OC[C@]12COC[C@H]1C2 1P01XC2J [0,0,0,2,0,0|2,0,0]=4 729 B9R2.61 OCC12COC(C1)C2 1P00P4JJ [0,0,0,2,0,0|2,0,0]=4 730 B9R2.110 NC12CCC(C1)OC2 1P028FA4 [0,0,0,2,0,0|2,0,0]=4 731 B9R2.173 O1CCC2(C1)CCN2 1P00HYGX [0,0,0,2,0,0|2,0,0]=4 732 B9R2.173 O1CCC2(C1)CCN2 1P01C41V [0,0,0,2,0,0|2,0,0]=4