0 B6R0.3 CC(=C)C(=O)NC LS41593 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 CC(=O)N(C)OC LS41178 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CCC(=O)C(=O)O LS41883 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 COC(=O)C(=C)F LS41928 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CCC[C@H](C)O LS30258 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 C(C(=O)CO)O LS41177 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.3 COC(=O)C#C LS40367 [1,0,0,0,0,0|0,0,2]=3 10 B5R0.3 COC(=O)CBr LS40562 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.3 COC(=O)CF LS40581 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.5 B(C(C)C)(O)O LS11150 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.5 CC(=O)C(=O)O LS41153 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.5 CC(C(=O)O)Br LS40410 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.5 CN(C)C(=O)CC#N LS41676 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.14 CC(C)(C(=O)OC)N LS40067 [0,1,0,0,0,0|0,0,0]=1 25 B7R0.14 CC(C)(C(=O)OC)O LS40349 [0,1,0,0,0,0|0,0,0]=1 26 B7R0.14 CC(C)(C)C(=O)CCl LS40447 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.15 CN(C)C(OC)OC LS40617 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.16 CN(C)C(=[N+](C)C)F LS40001 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.4 C1COC(=O)C1Br LS40518 [0,0,0,1,0,0|1,0,0]=2 30 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,0,0,0,0,1|2,0,0]=3 31 B7R0.2 COC(=O)CC(=O)O LS41603 [0,0,0,0,0,1|2,0,1]=4 32 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,0,0,0,0,1|1,0,0]=2 33 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,0,0,0,0,1|1,0,0]=2 34 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,0,0,0,0,1|1,0,0]=2 35 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,0,0,0,0,1|1,0,0]=2 36 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,0,0,0,0,1|1,0,1]=3 37 B4R0.1 B(CC)(O)O LS11146 [2,0,0,0,0,0|1,0,1]=4 38 B4R0.1 C(C(=O)Cl)Br LS40185 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.1 C(C(=O)N)I LS41576 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 C(C(=O)[O-])Br LS41065 [2,0,0,0,0,0|1,0,1]=4 41 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.1 CC(=NO)C LS00155 [2,0,0,0,0,0|1,0,1]=4 43 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|0,0,2]=4 44 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|0,0,2]=4 45 B4R0.1 COC(Cl)Cl LS00123 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 C[C@@H](CO)Cl LS30257 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 C[C@@H](CO)N LS30252 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 C[C@@H](CO)O LS30238 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 C[C@H](CO)Cl LS30085 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.1 C[C@H](CO)N LS30253 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 C[C@H](CO)O LS30239 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.2 COCCBr LS40281 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.2 CC(C)CC(C)N LS41472 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.7 C(=O)(C(Br)(Br)Br)O LS41232 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.7 CC(C)(C(=O)O)N LS41573 [1,1,0,0,0,0|0,0,0]=2 56 B6R0.7 CC(C)(C)[S@@](=O)N LS30100 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.7 CC(C)(C)[S@](=O)N LS30101 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.19 COC(=O)CC(=O)CCl LS41860 [0,1,0,0,0,1|1,0,1]=4 59 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,1,0,0,0,1|1,0,0]=3 60 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,1,0,0,0,1|1,0,0]=3 61 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,1,0,0,0,1|1,0,0]=3 62 B8R0.23 C[C@@H](C(=O)OC(C)C)N LS30131 [0,1,0,0,0,1|1,0,0]=3 63 B8R0.24 CC(C)(C)OC(=O)CBr LS41216 [0,1,0,0,0,1|2,0,0]=4 64 B8R0.24 CC(C)(C)OC(=O)CCl LS41215 [0,1,0,0,0,1|2,0,0]=4 65 B8R0.24 CC(C)(C)OC(=O)CN LS40344 [0,1,0,0,0,1|2,0,0]=4 66 B8R0.3 CCOC(=O)C(CBr)Br LS40411 [0,2,0,0,0,0|1,0,0]=3 67 B8R0.14 CC(C)(C)C(=O)OCCl LS40448 [0,2,0,0,0,0|0,0,0]=2 68 B8R0.14 CCOC(=O)C(F)(F)Br LS40058 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.14 CCOC(=O)C(F)(F)F LS41250 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.13 CC(C)(CO)C(=O)OC LS41949 [0,2,0,0,0,0|0,0,0]=2 71 B8R0.20 CCC(=O)N(CC)CC LS41679 [0,2,0,0,0,0|2,0,0]=4 72 B6R1.2 C1COCC1O LS21045 [1,0,0,1,0,0|1,0,1]=4 73 B6R1.2 C1COC[C@@H]1N LS30001 [1,0,0,1,0,0|1,0,1]=4 74 B6R1.2 C1COC[C@@H]1O LS30063 [1,0,0,1,0,0|1,0,1]=4 75 B6R1.2 C1COC[C@H]1O LS30020 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.2 C1COC[C@H]1O LS30064 [1,0,0,1,0,0|1,0,1]=4 77 B6R1.3 COC[C@@H]1CO1 LS30113 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.4 C1CNC(=O)CC1N LS20121 [0,0,0,1,0,1|2,0,0]=4 79 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,0,0,1,0,1|2,0,0]=4