0 B7R0.4 CNCCOC(C)=O 4133-5-03 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.4 O=C(Cl)OCCCF 2123-7-29 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.4 O=C(O)CCCCO 2120-1-00 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.6 CCNCCOC 4156-1-3Q [1,0,0,0,0,0|3,0,0]=4 5 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,1,0,0,0,0|0,0,0]=1 6 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [0,1,0,0,0,0|1,0,1]=3 7 B8R0.6 CCCSCC(=O)OC 6166-1-0C [0,1,0,0,0,0|1,0,0]=2 8 B8R0.6 CNCCCC(=O)OC 4133-5-00 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.6 COC(=O)OCCCF 2128-3-97 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.6 N#CC(O)CCCCO 4137-1-11 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.7 C=C(C)CCCCCC 1300-1-30 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [0,1,0,0,0,0|0,0,1]=2 13 B8R0.7 COCCCCB(O)O 6160-1-0F [0,1,0,0,0,0|1,0,1]=3 14 B8R0.7 NOCCCCC(=O)O 4121-9-01 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,1,0,0,0,0|0,0,2]=3 16 B8R0.21 COCCCS(=O)(=O)O 6164-1-20 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.21 O=P(O)(O)CCCCBr 6177-9-19 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.1 NCC1CNC(=O)C1 4H48-1-HY [0,0,0,1,0,0|3,0,0]=4 19 B8R1.1 NCC1CNC(=O)C1 4H48-5-B2 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.1 NC[C@@H]1CCC(=O)N1 4H48-1-S0 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-1-RC [0,0,0,1,0,0|3,0,0]=4 22 B8R1.1 NC[C@@H]1CNC(=O)C1 4H48-5-R7 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 C[C@@H]1C[C@H](O)CCN1 4H56-5-R7 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 C[C@H]1CNC[C@H](C)O1 4H31-1-2B [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 C[C@H]1C[C@@H](O)CCN1 4H56-5-1R [0,0,0,1,0,0|2,0,1]=4 26 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.22 C=C1OCCCCO1 2H10-1-71 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.22 CC1CCCCCN1 3H31-1-F4 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,0,0,1,0,0|1,0,0]=2 36 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,0,0,1,0,0|1,0,0]=2 37 B8R1.34 N=C(N)CC1CCC1 3241-5-01 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,0,0,1,0,0|1,0,0]=2 39 B8R1.72 CC1(O)CCOCC1 2H10-1-Z0 [0,0,0,1,0,0|2,0,1]=4 40 B5R0.1 NCCC(N)=O 4148-5-0C [2,0,0,0,0,0|2,0,0]=4 41 B5R0.2 FCCCCF 1100-3-44 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.2 NCCCCCl 3130-5-07 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [1,1,0,0,0,0|1,0,1]=4 45 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,1,0,0,0,0|1,0,0]=3 47 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.1 CCCCSCCO 6166-1-0L [1,1,0,0,0,0|0,0,1]=3 49 B9R0.1 O=C(O)CCNC(=O)CBr 4158-9-04 [0,2,0,0,0,0|1,0,1]=4 50 B9R0.5 CCOC(=O)CCCC#N 4137-1-0Y [0,2,0,0,0,0|1,0,1]=4 51 B9R0.5 CCOC(=O)OCCCF 2128-3-A7 [0,2,0,0,0,0|2,0,0]=4 52 B9R0.5 [C-]#[N+]CCCC(=O)OCC 4137-1-0Q [0,2,0,0,0,0|1,0,1]=4 53 B9R0.24 CC[C@@H](O)CC[C@H](O)CC 2104-1-0G [0,2,0,0,0,0|1,0,1]=4 54 B9R0.24 COC(=O)CCS(=O)OC 6165-1-07 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.46 COC(=O)CCCN=[N+]=[N-] 4142-1-00 [0,2,0,0,0,0|2,0,0]=4 56 B9R0.47 C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [0,2,0,0,0,0|0,0,1]=3 57 B9R0.47 C#CCCC[C@H](N)C(=O)O 4557-1-S0 [0,2,0,0,0,0|0,0,1]=3 58 B9R0.47 C=CCCC[C@H](N)C(=O)O 4357-1-S2 [0,2,0,0,0,0|0,0,1]=3 59 B9R0.38 COCCCCS(=O)(=O)Cl 6162-5-07 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.48 CCCC(Cl)CCC(=O)Cl 2116-5-26 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.55 CC(=O)NCCCN(C)C 4148-1-50 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O 4357-1-R0 [0,2,0,0,0,0|0,0,2]=4 63 B9R0.7 CC(C)=CC[C@H](N)C(=O)O 4357-1-S0 [0,2,0,0,0,0|0,0,2]=4 64 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.10 COC1CC(=O)C1 2217-1-0B [1,0,0,1,0,0|2,0,0]=4 66 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.12 CC1CC1C(N)=O 4248-1-12 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [1,0,0,1,0,0|0,0,0]=2 69 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [1,0,0,1,0,0|0,0,0]=2 70 B7R1.14 N=S1(=O)CCCC1 8H69-1-3T [1,0,0,1,0,0|2,0,0]=4 71 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [1,0,0,1,0,0|2,0,0]=4 72 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.20 NC(=S)CC1CC1 7267-1-05 [1,0,0,1,0,0|1,1,0]=4 75 B7R1.1 BrC[C@H]1CCCO1 2H10-9-R1 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.4 O=C1CCCC1Br 2215-9-00 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.6 C=CCC1CNC1 4H22-3-12 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.6 NCCC1CCC1 3230-1-0B [1,0,0,1,0,0|1,0,1]=4 82 B7R1.6 OCCN1CCC1 4H01-1-8D [1,0,0,1,0,0|1,0,1]=4 83 B7R1.8 O=C1CCC1CO 2220-1-06 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.24 C1=CCCNCC1 3H31-5-9D [1,0,0,1,0,0|2,0,0]=4 85 B9R1.34 CC1CC(=O)CC(C)N1 4H17-5-1U [0,1,0,1,0,0|2,0,0]=4 86 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [0,1,0,1,0,0|0,0,0]=2 87 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [0,1,0,1,0,0|1,0,0]=3 88 B9R1.52 CC1CN(C)[C@@H]1C(=O)O 4H21-1-SC [0,1,0,1,0,0|1,0,0]=3 89 B9R1.53 CC(=O)NC1CC(N)C1 4248-5-08 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.53 NC1CC(CC(=O)O)C1 4257-1-16 [0,1,0,1,0,0|0,0,0]=2 91 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-5-12 [0,1,0,1,0,0|0,0,0]=2 92 B9R1.53 O=C(O)CC1CC(=O)C1 2229-1-0N [0,1,0,1,0,0|0,0,1]=3 93 B9R1.137 O=[N+]([O-])CC(O)C1CC1 4254-1-06 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.171 CC1(CC(=O)O)CCC1 2221-1-51 [0,1,0,1,0,0|0,0,0]=2 95 B9R1.2 CCC1CCCC(O)C1 2202-1-13 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.2 O=C1CC(CO)CCN1 4H56-1-042 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.2 O=C1CCCC(CO)C1 2220-1-01 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4256-1-47 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.11 CNC(=O)C1CCNC1 4H48-5-FZ [0,1,0,1,0,0|2,0,0]=4 100 B9R1.11 CNC(=O)[C@@H]1CCCN1 4H48-5-SF [0,1,0,1,0,0|2,0,0]=4 101 B9R1.11 COC(=O)[C@@H]1CCCO1 2H23-1-S2 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.50 O=C1NCCCCCN1 4H53-1-0G [0,1,0,1,0,0|1,0,0]=3 103 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N 4258-5-E1 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.88 COC(=O)C1CC1CN 4258-5-14 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.89 OC[C@@H]1CCCCCN1 4H01-1-S6 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [0,1,0,1,0,0|1,0,0]=3 107 B9R1.6 O=C(O)C1=CCOCC1 2H21-1-13 [0,1,0,1,0,0|0,0,2]=4 108 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.84 O=C(O)\C=C\C1CCC1 2321-1-E1 [0,1,0,1,0,0|0,0,1]=3 110 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [0,1,0,1,0,0|0,0,0]=2 111 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,1,0,1,0,0|0,0,0]=2 112 B9R1.96 CCN1CC[C@H]1C(=O)O 4H21-1-SD [0,1,0,1,0,0|0,0,0]=2 113 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,1,0,1,0,0|1,0,0]=3 114 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 4457-1-03 [0,1,0,1,0,0|0,0,2]=4 116 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,1,0,1,0,0|0,0,1]=3 117 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,1,0,1,0,0|0,0,1]=3 118 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [0,1,0,1,0,0|0,0,0]=2 123 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [0,1,0,1,0,0|0,0,0]=2 125 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,1,0,1,0,0|0,0,0]=2 127 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,1,0,1,0,0|0,0,0]=2 128 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,1,0,1,0,0|0,0,0]=2 129 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,1,0,1,0,0|0,0,0]=2 130 B9R1.163 CC1(C(=O)O)CCOC1 2H21-1-91 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.10 CC1(O)CCC(N)CC1 4256-1-67 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 4256-1-50 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.166 CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,1,0,1,0,0|1,0,0]=3 134 B9R1.170 O=C(O)CC1CC1(F)F 2221-3-0J [0,1,0,1,0,0|1,0,0]=3 135 B9R2.139 O=C1CC2(CC2)CO1 2H25-1-2H [0,0,0,2,0,0|2,0,0]=4 136 B9R2.7 O=C1N[C@@H]2CCC[C@H]12 4H48-1-Z10 [0,0,0,2,0,0|1,0,0]=3 137 B9R2.138 O=C1CC2(CCC2)C1 2217-1-35 [0,0,0,2,0,0|1,0,0]=3 138 B9R2.138 O=C1CC2(COC2)C1 4H17-1-0Z [0,0,0,2,0,0|2,0,0]=4 139 B9R2.138 O=C1CC2(CSC2)C1 6H66-1-42 [0,0,0,2,0,0|2,0,0]=4 140 B9R2.138 OC1CC2(CCC2)C1 2202-1-0C [0,0,0,2,0,0|1,0,1]=4 141 B9R2.143 O=C(O)C1CC12CC2 2221-1-46 [0,0,0,2,0,0|0,0,0]=2