0 B9R1.6 ClC(Cl)=[N+]1CCOCC1 4H56-5-JG [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 O=C(O)C1=CCOCC1 2H21-1-13 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [1,0,0,0,0,0|2,0,1]=4 5 B8R1.2 C#CC1CCCCN1 3H31-5-0A [1,0,0,0,0,0|2,0,1]=4 6 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [1,0,0,0,0,0|2,0,1]=4 7 B8R1.2 COC1CCCCC1 2207-1-07 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.2 ClCC1CCNCC1 3H31-5-6Q [1,0,0,0,0,0|2,0,1]=4 9 B8R1.2 FCC1CCNCC1 3H31-7-0N [1,0,0,0,0,0|2,0,1]=4 10 B8R1.2 ICC1CCNCC1 3H31-M-05 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.2 N#CC1CCCCS1 7H37-1-04 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.2 NNC1CCNCC1 3H39-5-22 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.2 OCC1CCCNC1 4H56-1-910 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.2 OCC1CNCCO1 4H56-5-JJ [1,0,0,0,0,0|2,0,1]=4 15 B8R1.2 OCC1COCCN1 4H56-5-JK [1,0,0,0,0,0|2,0,1]=4 16 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.13 CC1=CCC(C(=O)O)CC1 2421-1-10 [0,1,0,0,0,0|0,0,2]=3 18 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 2216-5-05 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 4H58-5-4B [0,1,0,0,0,0|1,0,0]=2 20 B10R1.13 O=C1CCC(C(=O)Cl)CC1 2216-5-02 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.15 CNC(=O)C1CCCNC1 4H48-1-VU [0,1,0,0,0,0|2,0,0]=3 22 B10R1.15 COC(=O)C1=CCOCC1 2H23-1-62 [0,1,0,0,0,0|1,0,2]=4 23 B10R1.15 COC(=O)C1=CNCCC1 4H58-1-488 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.15 COC(=O)N1CCOCC1 4H56-1-0H8 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.15 COC(=O)[C@@H]1CNCCO1 4H58-5-BJ [0,1,0,0,0,0|2,0,0]=3 26 B10R1.15 COC(=O)[C@@H]1COCCN1 4H58-5-S6 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.15 COC(=O)[C@H]1CNCCO1 4H58-5-BH [0,1,0,0,0,0|2,0,0]=3 28 B10R1.15 COC(=O)[C@H]1COCCN1 4H58-5-R6 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.15 N[C@H](CO)C1CCCCC1 4256-1-37 [0,1,0,0,0,0|1,0,1]=3 30 B10R1.28 NS(=O)(=O)C1CCNCC1 8H69-1-6M [0,1,0,0,0,0|2,0,1]=4 31 B10R1.28 NS(=O)(=O)N1CCCCC1 8H69-1-7L [0,1,0,0,0,0|2,0,1]=4 32 B10R1.28 O=S(=O)(Cl)C1CCCOC1 6H62-5-02 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.61 NC(=O)C1CNCCC1=O 4H48-1-B2 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.61 NC(=O)[C@@H]1CC=CC[C@@H]1N 4448-5-00 [0,1,0,0,0,0|1,0,2]=4 35 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N 4248-5-00 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O 4457-5-02 [0,1,0,0,0,0|0,0,2]=3 37 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O 4457-1-01 [0,1,0,0,0,0|0,0,2]=3 38 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 4257-1-13 [0,1,0,0,0,0|0,0,0]=1 39 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O 4457-5-01 [0,1,0,0,0,0|0,0,2]=3 40 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O 4457-1-00 [0,1,0,0,0,0|0,0,2]=3 41 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O 4257-5-18 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.61 O=C(O)C1CCCCC1=O 2229-1-0J [0,1,0,0,0,0|0,0,1]=2 43 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,1,0,0,0,0|0,0,0]=1 44 B10R1.113 O=C1CCCC(C(=O)O)C1 2229-1-X0 [0,1,0,0,0,0|0,0,1]=2 45 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,1,0,0,0,0|0,0,0]=1 46 B10R1.363 CC(=O)C1(C)CCOCC1 2H17-1-87 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 4H21-1-SK [0,1,0,0,0,0|1,0,0]=2 48 B10R1.363 C[C@]1(C(=O)O)CCCCN1 4H21-1-RK [0,1,0,0,0,0|1,0,0]=2 49 B10R1.363 NC1(C(=O)O)CCSCC1 8H66-1-8K [0,1,0,0,0,0|1,0,0]=2 50 B8R0.7 C=C(C)CCCCCC 1300-1-30 [0,0,1,0,0,0|2,0,0]=3 51 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [0,0,1,0,0,0|0,0,2]=3 52 B8R0.7 COCCCCB(O)O 6160-1-0F [0,0,1,0,0,0|2,0,1]=4 53 B8R0.7 NOCCCCC(=O)O 4121-9-01 [0,0,1,0,0,0|2,0,0]=3 54 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,0,1,0,0,0|1,0,2]=4 55 B10R2.1 NC1CC12CCCCC2 3230-5-11 [0,0,0,1,0,0|2,0,1]=4 56 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 4H21-1-0E [0,0,0,1,0,0|1,0,0]=2 57 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O 4H21-1-FF [0,0,0,1,0,0|1,0,0]=2 58 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,0,0,0,1,0|2,0,0]=3 59 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,0,0,0,1,0|2,0,0]=3 60 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,0,0,0,1,0|2,0,0]=3 61 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,0,0,0,1,0|1,0,0]=2 62 B10R1.18 O=C(O)C=C1CCCCC1 2221-1-0C [0,0,0,0,0,1|0,0,1]=2 63 B10R1.18 O=C(O)CC1COCCN1 4H21-5-2K [0,0,0,0,0,1|2,0,0]=3 64 B10R1.348 OB(O)C1=CCCCCC1 6460-1-01 [0,0,0,0,0,1|1,0,2]=4 65 B7R0.1 CCCCSCCO 6166-1-0L [1,0,1,0,0,0|1,0,1]=4 66 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,0,1,0,0,0|1,0,0]=3 67 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,0,1,0,0,0|1,0,0]=3 69 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,0,1,0,0,0|2,0,0]=4 70 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [2,0,0,0,0,0|2,0,0]=4 71 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.3 OC1CCCNC1 4H56-1-909 [2,0,0,0,0,0|1,0,0]=3 73 B9R0.47 C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [0,1,1,0,0,0|0,0,2]=4 74 B9R0.47 C#CCCC[C@H](N)C(=O)O 4557-1-S0 [0,1,1,0,0,0|0,0,2]=4 75 B9R0.47 C=CCCC[C@H](N)C(=O)O 4357-1-S2 [0,1,1,0,0,0|0,0,2]=4 76 B9R0.48 CCCC(Cl)CCC(=O)Cl 2116-5-26 [0,1,1,0,0,0|1,0,0]=3 77 B9R1.1 CC1CCC(CCl)CC1 1200-6-00 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.1 COC1CCC(N)CC1 4233-5-04 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.1 NC[C@H]1CC[C@H](O)CC1 4256-5-46 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.2 CCC1CCCC(O)C1 2202-1-13 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.2 O=C1CCCC(CO)C1 2220-1-01 [1,1,0,0,0,0|0,0,2]=4 82 B9R1.8 O=CNC1=CCCCC1 4448-1-07 [1,1,0,0,0,0|0,0,2]=4 83 B9R1.8 OCC[C@@H]1CCCCN1 4H56-1-S20 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.8 OCC[C@@H]1CCCCN1 4H56-5-SD [1,1,0,0,0,0|1,0,1]=4 85 B9R1.15 CN[C@@H]1CCCC[C@H]1O 4256-5-37 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 NC[C@@H]1CCCC[C@H]1N 3230-1-00 [1,1,0,0,0,0|1,0,1]=4 87 B9R1.15 OC[C@H]1CCNC[C@H]1F 4H56-7-2J [1,1,0,0,0,0|1,0,1]=4 88 B9R1.118 N#CC1(Br)CCCCC1 3237-9-01 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.11 CNC(=O)C1CCNC1 4H48-5-FZ [0,1,0,0,1,0|2,0,0]=4 90 B9R1.11 CNC(=O)[C@@H]1CCCN1 4H48-5-SF [0,1,0,0,1,0|2,0,0]=4 91 B9R1.11 COC(=O)[C@@H]1CCCO1 2H23-1-S2 [0,1,0,0,1,0|1,0,0]=3 92 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,1,0,0,1,0|1,0,0]=3 93 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,1,0,0,1,0|1,0,0]=3 94 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 4457-1-03 [0,1,0,0,1,0|0,0,2]=4 95 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,1,0,0,1,0|0,0,1]=3 96 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,1,0,0,1,0|0,0,1]=3 97 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [0,1,0,0,1,0|1,0,0]=3 98 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [0,1,0,0,1,0|0,0,0]=2 99 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [0,1,0,0,1,0|1,0,0]=3 100 B9R1.163 CC1(C(=O)O)CCOC1 2H21-1-91 [0,1,0,0,1,0|1,0,0]=3 101 B11R1.36 FC(F)=C(F)C1CCCCC1 1400-3-06 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 4257-1-S0 [0,1,0,0,0,1|0,0,0]=2 103 B11R1.40 COC(=O)C=C1CCCCC1 2323-1-0N [0,1,0,0,0,1|0,0,1]=3 104 B11R1.40 COC(=O)C[C@H]1CCCNC1 4H58-5-CC [0,1,0,0,0,1|1,0,0]=3 105 B11R1.86 CC1CNCCN1CC(=O)O 4H58-1-482 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.86 O=C(O)CC1CCCCC1=O 2229-1-0L [0,1,0,0,0,1|0,0,1]=3 107 B11R1.852 COC(=O)C1=CCCCCC1 2423-1-06 [0,1,0,0,0,1|0,0,1]=3 108 B11R1.3 CC(=O)N1CCC(CO)CC1 4H56-1-0GE [0,2,0,0,0,0|2,0,0]=4 109 B11R1.3 COC1CCC(C(=O)Cl)CC1 2216-5-07 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.22 CN1CCC(C(=O)NN)CC1 4H56-1-0B0 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.22 COC(=O)C1CC=C(C)CC1 2423-1-13 [0,2,0,0,0,0|0,0,2]=4 112 B11R1.22 COC(=O)C1CCC(C)NC1 4H23-1-8J [0,2,0,0,0,0|1,0,0]=3 113 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 4H58-1-UJ [0,2,0,0,0,0|1,0,0]=3 114 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 2229-1-99 [0,2,0,0,0,0|0,0,1]=3 115 B11R1.727 O=C(Cl)C1CCC(F)(F)CC1 2216-7-01 [0,2,0,0,0,0|1,0,0]=3 116 B11R1.16 CCOC(=O)C1CNCCS1 8H23-1-0K [0,2,0,0,0,0|2,0,0]=4 117 B11R1.16 N#CCC(=O)C1CCOCC1 3H37-1-5Z [0,2,0,0,0,0|2,0,0]=4 118 B11R1.16 NC(CCO)C1CCCCC1 4256-5-25 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.23 COC(=O)C1CNCC(C)C1 4H23-5-2B [0,2,0,0,0,0|1,0,0]=3 120 B11R1.222 COC(=O)C1CCCNC1C 4H23-1-8G [0,2,0,0,0,0|1,0,0]=3 121 B11R1.878 COC(=O)C1(C)CCCNC1 4H23-5-2A [0,2,0,0,0,0|1,0,0]=3 122 B11R1.878 COC(=O)C1(C)COCCN1 4H58-5-3W [0,2,0,0,0,0|2,0,0]=4 123 B11R1.878 COC(=O)C1(F)CCOCC1 2H23-3-23 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.878 COC(=O)C1(N)CCNCC1 4H58-5-9Z [0,2,0,0,0,0|1,0,0]=3 125 B11R1.177 C[C@@]1(N)CCCC[C@@H]1C(=O)O 4258-5-09 [0,2,0,0,0,0|0,0,0]=2 126 B11R1.266 CNC1CCCN(C(C)=O)C1 4H48-1-UV [0,2,0,0,0,0|2,0,0]=4 127 B11R1.1074 NCC1(C(=O)O)CCOCC1 4H57-5-18 [0,2,0,0,0,0|1,0,0]=3 128 B9R1.50 O=C1NCCCCCN1 4H53-1-0G [0,0,1,1,0,0|2,0,0]=4 129 B9R1.84 O=C(O)\C=C\C1CCC1 2321-1-E1 [0,0,1,1,0,0|0,0,2]=4 130 B9R1.85 O=C(O)CCNC1CC1 4257-1-33 [0,0,1,1,0,0|1,0,0]=3 131 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,0,1,1,0,0|1,0,0]=3 132 B9R1.96 CCN1CC[C@H]1C(=O)O 4H21-1-SD [0,0,1,1,0,0|1,0,0]=3 133 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [0,0,1,1,0,0|1,0,0]=3 134 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [0,0,1,1,0,0|1,0,0]=3 135 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [0,0,1,1,0,0|1,0,0]=3 136 B9R1.110 N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [0,0,1,1,0,0|1,0,0]=3 137 B9R1.110 N[C@@H](C(=O)O)C1COC1 4H57-1-74 [0,0,1,1,0,0|2,0,0]=4 138 B9R1.110 N[C@H](C(=O)O)C1CCC1 4257-1-S4 [0,0,1,1,0,0|1,0,0]=3 139 B9R1.110 N[C@H](C(=O)O)C1COC1 4H57-1-S4 [0,0,1,1,0,0|2,0,0]=4 140 B9R1.112 NC(CC1CC1)C(=O)O 4257-1-26 [0,0,1,1,0,0|1,0,0]=3 141 B9R1.112 N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [0,0,1,1,0,0|1,0,0]=3 142 B9R1.112 N[C@H](CC1CC1)C(=O)O 4257-1-R7 [0,0,1,1,0,0|1,0,0]=3 143 B9R1.112 O=C(O)[C@H](O)CC1CC1 2229-1-R4 [0,0,1,1,0,0|1,0,0]=3 144 B9R1.119 COC1(C(=O)Cl)CCC1 2216-5-01 [0,0,1,1,0,0|2,0,0]=4 145 B9R1.119 NCC1(C(=O)O)CCC1 4257-5-20 [0,0,1,1,0,0|1,0,0]=3 146 B9R2.49 C1CC2CCC1CN2 3H31-5-0B [1,0,0,1,0,0|1,0,1]=4 147 B9R2.53 OC1C2CNCC1C2 4H56-5-D5 [1,0,0,1,0,0|1,0,1]=4 148 B9R2.56 OCC12CNCC1C2 4H56-5-1G [1,0,0,1,0,0|1,0,1]=4 149 B9R2.7 O=C1N[C@@H]2CCC[C@H]12 4H48-1-Z10 [0,0,0,1,1,0|1,0,0]=3 150 B11R2.703 O=C1CC2(CCCCC2)C1 2217-1-0H [0,0,0,1,0,1|1,0,0]=3 151 B11R2.703 O=C1CC2(CCCNC2)N1 4H48-1-015 [0,0,0,1,0,1|2,0,0]=4 152 B11R2.703 O=C1CC2(CCNCC2)N1 4H48-1-011 [0,0,0,1,0,1|2,0,0]=4 153 B11R2.813 O=C(O)C12CNCCC1C2 4H33-5-1R [0,0,0,1,0,1|0,0,0]=2 154 B11R2.1 O=C1NCC2CCNCC12 4H48-1-BK [0,1,0,1,0,0|2,0,0]=4 155 B11R2.12 O=C1CCC12CCCCC2 2217-1-0F [0,1,0,1,0,0|1,0,0]=3 156 B11R2.12 O=C1NCC12CCCNC2 4H48-1-016 [0,1,0,1,0,0|2,0,0]=4 157 B11R2.12 OC1CCC12CCCCC2 2202-1-0D [0,1,0,1,0,0|1,0,1]=4 158 B11R2.914 COC(=O)C1CC2OC2C1 2223-1-0P [0,1,0,1,0,0|1,0,0]=3 159 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1N2 4H58-9-64 [0,1,0,1,0,0|0,0,0]=2 160 B11R2.845 [C@H]1(C(=O)O)C[C@H]2CCN1C2 4H33-5-1W [0,1,0,1,0,0|1,0,0]=3 161 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [1,0,0,0,1,0|1,0,1]=4 162 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,0,0,0,2,0|2,0,0]=4 163 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,0,0,0,2,0|1,0,0]=3 164 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,0,0,0,2,0|1,0,0]=3 165 B9R1.89 N#CC1CCCNCC1 3H37-1-2F [1,0,0,0,0,1|1,0,1]=4 166 B9R1.89 OC[C@@H]1CCCCCN1 4H01-1-S6 [1,0,0,0,0,1|0,0,1]=3 167 B11R1.91 NC(=O)COC1CCCCC1 4248-1-32 [0,0,0,0,0,2|1,0,0]=3 168 B11R1.91 O=C(O)CCC1CNCCN1 4H21-3-66 [0,0,0,0,0,2|2,0,0]=4