0 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(CO)C(=O)O LS40008 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.1 CC(CCO)N LS41893 [0,0,0,0,0,0|1,1,2]=4 3 B5R0.1 CCC[C@@H](C)O LS30259 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CCC[C@H](C)O LS30258 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CN(C)CCCl LS41162 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 C[C@@H](CCO)N LS30207 [0,0,0,0,0,0|1,1,2]=4 7 B5R0.1 C[C@H](CCO)N LS30127 [0,0,0,0,0,0|1,1,2]=4 8 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|0,1,1]=3 12 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|1,1,0]=3 13 B4R0.1 CC(CCl)Cl LS40550 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|1,1,1]=4 18 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|1,1,1]=4 19 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|1,1,1]=4 20 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|1,1,1]=4 22 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|1,1,1]=4 23 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|1,1,1]=4 24 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|0,1,2]=4 26 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|1,1,1]=4 27 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 CCOC(=O)CBr LS40563 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CCOC(=O)CF LS40582 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CCOC(=O)OC LS41158 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 COC(=N)CCCl LS40140 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 C\C(=N/C#N)\OC LS41000 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.2 CC(C)CC(C)N LS41472 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.5 C[Si](C)(C)CCO LS40275 [0,1,0,0,0,0|0,2,1]=4 38 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|3,0,0]=4 39 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|1,1,1]=4 41 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|1,0,1]=3 42 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.2 Cc1c[nH]nc1 LS20097 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.2 Cc1cc[nH]n1 LS20095 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.2 Cc1cccs1 LS20640 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.2 Cc1cnoc1 LS20829 [0,0,0,1,0,0|1,1,1]=4 47 B6R1.2 c1cscc1Br LS20645 [0,0,0,1,0,0|1,0,2]=4 48 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|2,0,0]=4 49 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 50 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|1,1,0]=4 51 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|1,1,0]=4 52 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|1,1,0]=4 53 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|1,1,0]=4 54 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,1,1]=4 55 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|1,0,0]=3 56 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.3 C(C(=O)CO)O LS41177 [1,1,0,0,0,0|1,1,0]=4 58 B5R0.3 C=C(CBr)CBr LS40790 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.3 C=C(CO)CO LS40793 [1,1,0,0,0,0|0,1,1]=4 60 B5R0.3 COC(=O)CBr LS40562 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.3 COC(=O)CF LS40581 [1,1,0,0,0,0|2,0,0]=4 62 B5R0.4 CC(C)(C)C=C LS40301 [1,1,0,0,0,0|0,0,2]=4 63 B5R0.4 CC(C)(C)CO LS40233 [1,1,0,0,0,0|0,1,1]=4 64 B5R0.4 CC(C)(CCl)O LS40441 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.5 CC(=O)C(=O)O LS41153 [1,1,0,0,0,0|1,1,0]=4 66 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,1,0,0,0,0|1,1,0]=4 67 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,1,0,0,0,0|1,1,0]=4 68 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,1,0,0,0,0|1,1,0]=4 69 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,1,0,0,0,0|1,1,0]=4 70 B5R0.2 C(\C=C/CCl)Cl LS30130 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.2 C(\C=C\CCl)Cl LS30302 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.5 CN(C)C(=O)CC#N LS41676 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.14 CC(C)(C)C(=O)CCl LS40447 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|2,0,0]=4 76 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|1,1,0]=4 77 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,0,0]=3 78 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|1,0,1]=4 79 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|1,0,0]=3 80 B5R1.1 c1cnsc1 LS21251 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.4 Cc1ccsc1Br LS20654 [0,1,0,1,0,0|0,0,2]=4 83 B7R1.4 Cc1ccsc1Cl LS20652 [0,1,0,1,0,0|0,0,2]=4 84 B7R1.6 C1C(=CC#N)CO1 LS41148 [0,1,0,1,0,0|1,0,1]=4