0 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,0,0,0,0,0|1,0,1]=2 2 B7R0.5 CCCC(F)=C(F)F 1300-3-00 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCNC(=O)CBr 4148-9-03 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.3 CCC(F)C(=O)O 2121-3-0L [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,1,0,0,0,0|2,0,1]=4 8 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [0,1,0,0,0,0|1,0,1]=3 9 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.3 CCOC(=O)[C@@H](C)OC 2123-1-R4 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.23 CC(=O)C(=O)OC(C)C 2129-1-0H [0,1,0,0,0,0|1,0,0]=2 12 B8R0.23 CC(C)NC(=O)C(=O)O 4157-1-54 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.5 CC1COCCC1=O 2H17-1-79 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,0,0,1,0,0|2,0,1]=4 18 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,0,0,1,0,0|2,0,1]=4 21 B8R0.5 CCCC(=O)CC(C)C 2117-1-0K [0,0,0,0,0,1|1,0,1]=3 22 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,0,0,0,0,1|2,0,1]=4 23 B5R0.1 NCCC(N)=O 4148-5-0C [2,0,0,0,0,0|2,0,0]=4 24 B5R0.2 CCO\C=C/Br 2307-9-01 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [1,1,0,0,0,0|2,0,0]=4 27 B7R0.10 COC(=O)C(O)CN 4158-5-50 [1,1,0,0,0,0|2,0,0]=4 28 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [1,1,0,0,0,0|2,0,0]=4 29 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.4 C\C=C\C=C\C(C)=O 2317-1-0E [1,1,0,0,0,0|0,0,2]=4 31 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,1,0,0,0,0|1,0,1]=4 33 B9R0.6 C=C(C)C(=O)C(=O)OCC 2329-1-14 [0,1,0,0,0,1|2,0,0]=4 34 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [1,0,0,1,0,0|2,0,0]=4 36 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.4 O=C1CCCC1Br 2215-9-00 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.8 O=C1CCC1CO 2220-1-06 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.17 CC1(C)CCC1=O 2217-1-0L [1,0,0,1,0,0|1,0,1]=4 40 B9R1.34 CC1CC(=O)CC(C)N1 4H17-5-1U [0,0,0,1,0,1|1,0,1]=4 41 B9R1.101 COC(=O)C(Cl)=C1CC1 2223-5-0A [0,1,0,1,0,0|1,0,1]=4 42 B9R1.101 CON(C)C(=O)C1CC1 4256-1-24 [0,1,0,1,0,0|1,0,1]=4 43 B9R1.110 CN(C)C(=O)C1CCN1 4H48-5-2S [0,1,0,1,0,0|2,0,0]=4 44 B9R1.11 CNC(=O)[C@@H]1CCCN1 4H48-5-SF [0,1,0,1,0,0|1,0,1]=4 45 B9R1.11 COC(=O)[C@@H]1CCCO1 2H23-1-S2 [0,1,0,1,0,0|0,0,2]=4 46 B9R1.6 O=C(O)C1=CCOCC1 2H21-1-13 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.164 CC1(C)C=C(C(=O)O)C1 2421-1-09 [0,1,0,1,0,0|2,0,0]=4 48 B9R0.48 CCOC(=O)\C=C\C(C)=O 2329-1-07 [0,0,0,0,0,2|1,0,0]=3