0 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [0,0,0,0,0,0|3,0,0]=3 1 B8R0.6 CCCSCC(=O)OC 6166-1-0C [0,0,0,0,0,0|1,0,0]=1 2 B8R0.6 CNCCCC(=O)OC 4133-5-00 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.6 COC(=O)OCCCF 2128-3-97 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 CNCCOC(C)=O 4133-5-03 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.5 CCOC(=O)CCCC#N 4137-1-0Y [0,1,0,0,0,0|1,0,1]=3 8 B9R0.5 CCOC(=O)OCCCF 2128-3-A7 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.5 [C-]#[N+]CCCC(=O)OCC 4137-1-0Q [0,1,0,0,0,0|1,0,1]=3 10 B9R0.24 CCC(C)CCC(C)CC 1100-1-X1 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 2104-1-0G [0,1,0,0,0,0|1,0,2]=4 12 B9R0.24 COC(=O)CCS(=O)OC 6165-1-07 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.46 COC(=O)CCCN=[N+]=[N-] 4142-1-00 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.47 CCCCCC(C)C(C)C 1100-1-08 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.2 COC1=CCCN(C)C1 4H56-1-0L9 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.11 CNC(=O)C1CCNC1 4H48-5-FZ [0,0,0,1,0,0|2,0,0]=3 17 B9R1.11 CNC(=O)[C@@H]1CCCN1 4H48-5-SF [0,0,0,1,0,0|2,0,0]=3 18 B9R1.11 COC(=O)[C@@H]1CCCO1 2H23-1-S2 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.50 O=C1NCCCCCN1 4H53-1-0G [0,0,0,1,0,0|2,0,0]=3 20 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N 4258-5-E1 [0,0,0,1,0,0|1,0,0]=2 21 B9R1.88 COC(=O)C1CC1CN 4258-5-14 [0,0,0,1,0,0|1,0,0]=2 22 B9R1.89 CCN1CCCCCC1 3H32-1-FY [0,0,0,1,0,0|3,0,0]=4 23 B6R0.6 CCNCCOC 4156-1-3Q [2,0,0,0,0,0|1,0,0]=3 24 B8R0.7 C=C(C)CCCCCC 1300-1-30 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.3 C=CC[C@H](N)C(=O)OC 4358-1-S0 [1,1,0,0,0,0|0,0,2]=4 26 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [1,1,0,0,0,0|0,0,0]=2 27 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [1,1,0,0,0,0|0,0,0]=2 28 B8R0.9 CCC(=O)NCC(C)C 4148-1-0W [1,1,0,0,0,0|2,0,0]=4 29 B8R0.19 COC(=O)C[C@@H](O)CCl 2129-5-R0 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [1,1,0,0,0,0|0,0,0]=2 31 B8R0.21 COCCCS(=O)(=O)O 6164-1-20 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.21 O=P(O)(O)CCCCBr 6177-9-19 [1,1,0,0,0,0|2,0,0]=4 33 B10R0.3 C=C(C)CCCC(=O)OCC 2323-1-X7 [0,2,0,0,0,0|0,0,1]=3 34 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 4158-5-SX [0,2,0,0,0,0|1,0,1]=4 35 B10R0.2 CCCC(=O)CC(=O)CCC 2118-1-00 [0,2,0,0,0,0|1,0,1]=4 36 B10R0.2 CCC\C(C)=C\C(=O)OCC 2323-1-36 [0,2,0,0,0,0|0,0,2]=4 37 B10R0.6 CC(C)OC(=O)OCCCF 2128-3-D1 [0,2,0,0,0,0|2,0,0]=4 38 B10R0.91 CCCOC(=O)OCCCF 2128-3-B9 [0,2,0,0,0,0|2,0,0]=4 39 B8R1.2 COC1CCCCC1 2207-1-07 [1,0,0,1,0,0|0,0,1]=3 40 B8R1.10 CNCCC1CCC1 3231-1-07 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.22 CC1CCCCCN1 3H31-1-F4 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [1,0,0,1,0,0|0,0,2]=4 43 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [1,0,0,1,0,0|2,0,0]=4 44 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [1,0,0,1,0,0|2,0,0]=4 46 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.3 N[C@H]1CCC(=O)NC1 4H48-5-SH [1,0,0,1,0,0|2,0,0]=4 48 B8R1.3 O=C1CCC(Br)CC1 2217-9-01 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.3 O=C1CCC(F)CC1 2217-3-06 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.38 O=C(CBr)C1CCC1 2217-9-0A [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [1,0,0,1,0,0|1,0,0]=3 52 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [1,0,0,1,0,0|1,0,0]=3 60 B8R1.34 N=C(N)CC1CCC1 3241-5-01 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [1,0,0,1,0,0|1,0,0]=3 62 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 2229-1-R0 [0,1,0,1,0,0|0,0,1]=3 63 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-11 [0,1,0,1,0,0|0,0,0]=2 64 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 2229-1-S0 [0,1,0,1,0,0|0,0,1]=3 65 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 4233-5-05 [0,1,0,1,0,0|0,0,0]=2 66 B10R1.150 COC(=O)CC1CC(=O)C1 2229-1-0P [0,1,0,1,0,0|0,0,1]=3 67 B10R1.150 COC(=O)CC1CC(O)C1 2229-1-0S [0,1,0,1,0,0|0,0,0]=2 68 B10R1.408 COC(=O)C1CC1C(=O)O 2223-1-1A [0,1,0,1,0,0|1,0,1]=4 69 B10R1.11 CCOC(=O)C1CCCN1 4H58-1-7S [0,1,0,1,0,0|1,0,0]=3 70 B10R1.138 CCOC(=O)\C=C\C1CC1 2323-1-42 [0,1,0,1,0,0|0,0,2]=4 71 B10R1.15 CNC(=O)C1CCCNC1 4H48-1-VU [0,1,0,1,0,0|1,0,0]=3 72 B10R1.15 COC(=O)C1=CCOCC1 2H23-1-62 [0,1,0,1,0,0|0,0,2]=4 73 B10R1.15 COC(=O)C1=CNCCC1 4H58-1-488 [0,1,0,1,0,0|0,0,2]=4 74 B10R1.15 COC(=O)N1CCOCC1 4H56-1-0H8 [0,1,0,1,0,0|1,0,0]=3 75 B10R1.15 COC(=O)[C@@H]1CNCCO1 4H58-5-BJ [0,1,0,1,0,0|1,0,0]=3 76 B10R1.15 COC(=O)[C@@H]1COCCN1 4H58-5-S6 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.15 COC(=O)[C@H]1CNCCO1 4H58-5-BH [0,1,0,1,0,0|1,0,0]=3 78 B10R1.15 COC(=O)[C@H]1COCCN1 4H58-5-R6 [0,1,0,1,0,0|1,0,0]=3 79 B10R1.169 COC(=O)C1CC(CN)C1 4258-5-13 [0,1,0,1,0,0|1,0,0]=3 80 B10R1.184 COC(=O)[C@H](O)CC1CC1 2229-1-R3 [0,1,0,1,0,0|0,0,0]=2 81 B10R1.275 CC1CCCCN(C)C1=O 4H48-1-03D [0,1,0,1,0,0|1,0,0]=3 82 B10R1.411 COC(=O)C1(N)CCCC1 4258-5-16 [0,1,0,1,0,0|0,0,0]=2 83 B10R1.27 COC(=O)C=C1CCCC1 2323-1-0X [0,1,0,1,0,0|0,0,1]=3 84 B10R1.134 COC(=O)\C=C(\C)C1CC1 2323-1-0Q [0,1,0,1,0,0|0,0,2]=4 85 B10R1.149 COC(=O)C1SCCC1=O 6H29-1-0A [0,1,0,1,0,0|1,0,1]=4 86 B10R1.1 CCCN1CC=C(Br)CC1 3H32-9-AM [0,1,0,1,0,0|2,0,0]=4 87 B10R1.2 CN1C(=O)CCCC1CN 4H48-5-BA [0,1,0,1,0,0|1,0,0]=3 88 B10R1.161 O=CC1CCCCCCC1 2215-1-07 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.23 CN(C)C(=O)C1CCNC1 4H48-5-G0 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 4H48-5-SE [0,1,0,1,0,0|2,0,0]=4 91 B10R2.332 O=C1CC2(CN1)COC2 4H48-1-BQ [0,0,0,2,0,0|2,0,0]=4 92 B10R2.332 O=C1CC2(CNC2)CN1 4H48-1-00A [0,0,0,2,0,0|2,0,0]=4 93 B10R2.332 O=C1NCC2(CCC2)O1 4H56-1-155 [0,0,0,2,0,0|2,0,0]=4