0 B6R0.1 CCC(C)CNC 3131-5-05 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C=CCC(C)N 3230-5-0A [1,0,0,0,0,0|1,0,2]=4 2 B5R0.1 NCCC(N)=O 4148-5-0C [1,0,0,0,0,0|2,0,1]=4 3 B5R0.2 C#CCCCN 3533-5-03 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.2 CCO\C=C/Br 2307-9-01 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.2 CNCCSC 7166-5-02 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.2 FCCCCF 1100-3-44 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 NCCCCCl 3130-5-07 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 C=CC(C)ON 4347-5-31 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.3 CC(CO)CBr 2101-9-0B [1,0,0,0,0,0|1,0,2]=4 10 B5R0.3 CN[C@@H](C)CO 4156-5-S1 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.2 CC(C)CC(N)C#N 3137-1-17 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,1,0,0,0,0|0,0,0]=1 14 B7R0.5 CCCC(F)=C(F)F 1300-3-00 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.11 CCCC(C)(C)C#N 3137-1-0M [0,1,0,0,0,0|1,0,1]=3 17 B7R0.11 COCC(C)(C)CO 2107-1-0E [0,1,0,0,0,0|1,0,2]=4 18 B7R1.1 BrC[C@H]1CCCO1 2H10-9-R1 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.1 CN[C@@H]1CCNC1 3H31-5-RK [0,0,0,1,0,0|3,0,0]=4 20 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.1 N#C[C@@H]1CCOC1 3H37-1-S0 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.1 NC[C@@H]1CCOC1 4H56-1-S15 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [0,0,0,1,0,0|2,0,1]=4 24 B7R1.1 NC[C@H]1CCOC1 4H56-1-R07 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.1 NC[C@H]1CCOC1 4H56-5-RC [0,0,0,1,0,0|2,0,1]=4 26 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.2 CC1CCC(C)N1 3H31-5-0R [0,0,0,1,0,0|2,0,1]=4 28 B7R1.3 C[C@@H]1CNCCO1 4H56-1-R10 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 C[C@H]1CNCCO1 4H44-5-75 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 OC1CCCNC1 4H56-1-909 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.4 O=C1CCCC1Br 2215-9-00 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.6 CCOC1CNC1 4H56-5-DR [0,0,0,1,0,0|2,0,1]=4 37 B7R1.6 CNCC1COC1 4H56-1-181 [0,0,0,1,0,0|1,0,2]=4 38 B7R1.6 COC[C@@H]1CCN1 4H56-1-S0H [0,0,0,1,0,0|3,0,0]=4 39 B7R1.6 COC[C@H]1CCN1 4H56-1-R02 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.6 NCCC1CCC1 3230-1-0B [0,0,0,1,0,0|2,0,1]=4 41 B7R1.10 CN1CC(CN)C1 3H30-1-DT [0,0,0,1,0,0|2,0,1]=4 42 B7R1.10 CN1CC(CO)C1 4H01-1-6U [0,0,0,1,0,0|1,0,2]=4 43 B7R1.10 CN[C@H]1C[C@@H](O)C1 4256-5-39 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.10 COC1CC(N)C1 4256-5-06 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.10 CO[C@H]1C[C@@H](Br)C1 2207-9-Z0 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.10 CO[C@H]1C[C@H](N)C1 4256-5-22 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.10 N#CC1CC(F)C1 3237-3-05 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.10 N#CC1CC(N)C1 3237-5-00 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.10 N#CC1CC(O)C1 4237-1-0C [0,0,0,1,0,0|2,0,1]=4 50 B7R1.10 N#C[C@H]1C[C@@H](N)C1 3237-5-E0 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.10 N#C[C@H]1C[C@@H](O)C1 4237-1-Z0 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.10 N#C[C@H]1C[C@H](O)C1 4237-1-E0 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.10 NC1CC(CO)C1 4256-5-47 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.10 NCC1CC(F)C1 3230-7-0D [0,0,0,1,0,0|2,0,1]=4 55 B7R1.10 NC[C@H]1C[C@H](F)C1 3230-7-02 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.10 N[C@H]1C[C@H](CO)C1 4256-5-42 [0,0,0,1,0,0|1,0,2]=4 57 B7R1.10 OCC1CC(F)C1 2201-3-0E [0,0,0,1,0,0|1,0,2]=4 58 B7R1.22 NC(CO)C1CC1 4256-5-54 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.22 N[C@@H](CO)C1CC1 4256-5-R2 [0,0,0,1,0,0|1,0,2]=4 60 B7R1.22 N[C@H](CO)C1CC1 4256-5-S2 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.25 CC1(CO)CNC1 4H01-5-0U [0,0,0,1,0,0|1,0,2]=4 62 B7R1.25 CNC1(C)COC1 4H56-1-785 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.25 N#CC1(N)CCC1 3237-5-01 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.25 NCC1(F)CCC1 3230-7-0F [0,0,0,1,0,0|2,0,1]=4 65 B7R1.25 OCC1(O)CCC1 2204-1-15 [0,0,0,1,0,0|1,0,2]=4 66 B4R0.1 CC(N)CF 3130-7-09 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.2 C=CCNC 3331-1-01 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.2 C[C@@H](N)CN(C)C 3132-5-R0 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.2 C[C@H](N)CN(C)C 3132-5-S0 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.3 CCC(F)C(=O)O 2121-3-0L [1,1,0,0,0,0|1,0,1]=4 72 B6R0.3 CNC(C)C(C)C 3131-1-0B [1,1,0,0,0,0|1,0,1]=4 73 B6R0.4 C=CCCC(C)Br 1300-9-21 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.4 CC(C)CCON 4147-5-07 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.4 CN(C)CCCBr 3132-9-02 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.5 CC(C)(N)CCO 4156-5-18 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.5 CC(C)(O)CCN 4130-1-X2 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.6 CCNCCOC 4156-1-3Q [1,1,0,0,0,0|2,0,0]=4 79 B6R0.8 CC(C)(C=O)CO 2115-1-0A [1,1,0,0,0,0|1,0,0]=3 80 B6R0.8 CCC(C)(C)NC 3131-1-0A [1,1,0,0,0,0|2,0,0]=4 81 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,2,0,0,0,0|1,0,0]=3 82 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.16 COC(CC(C)O)OC 2108-1-0B [0,2,0,0,0,0|2,0,0]=4 84 B8R0.23 C=C(C)C[C@H](N)C(=O)O 4357-1-S3 [0,2,0,0,0,0|1,0,1]=4 85 B8R0.34 CC(C)CC(C)(N)C#N 3137-1-0L [0,2,0,0,0,0|1,0,1]=4 86 B8R0.3 CCCC(Br)C(=O)OC 2123-9-0L [0,2,0,0,0,0|1,0,0]=3 87 B8R0.3 CCC[C@@H](N)C(=O)OC 4158-1-R00 [0,2,0,0,0,0|1,0,0]=3 88 B8R0.6 CCCCOC(=O)C=O 2129-1-0S [0,2,0,0,0,0|1,0,1]=4 89 B8R0.8 C#CCC[C@H](N)C(=O)O 4557-1-S1 [0,2,0,0,0,0|1,0,1]=4 90 B8R0.25 CCCCC(C)(C)C#N 3137-1-0N [0,2,0,0,0,0|1,0,1]=4 91 B8R0.12 CC(C)(CCCl)C(=O)Cl 2116-5-25 [0,2,0,0,0,0|1,0,0]=3 92 B8R0.12 CNCC(F)(F)C(=O)O 4157-7-06 [0,2,0,0,0,0|2,0,0]=4 93 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [1,0,0,1,0,0|1,0,0]=3 94 B6R1.2 I[C@H]1CCOC1 2H10-H-S1 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.3 BrCCC1CC1 1200-9-18 [1,0,0,1,0,0|1,0,1]=4 96 B6R1.5 C=C1CC(N)C1 3330-5-00 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.5 CN1CC(=O)C1 4H17-5-2E [1,0,0,1,0,0|1,0,1]=4 98 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [1,0,0,1,0,0|1,0,0]=3 99 B6R1.5 NC1CC(F)C1 3230-7-04 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.5 N[C@H]1C[C@@H](N)C1 3230-5-13 [1,0,0,1,0,0|2,0,0]=4 101 B6R1.5 O=C1CC(Br)C1 2217-9-03 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.5 O=C1CC(F)C1 2217-3-0D [1,0,0,1,0,0|1,0,1]=4 103 B6R1.5 O=C1CC(O)C1 2220-1-00 [1,0,0,1,0,0|1,0,1]=4 104 B6R1.5 OC1CC(F)C1 2201-3-0D [1,0,0,1,0,0|1,0,1]=4 105 B6R1.5 OC1CC(O)C1 2204-1-0C [1,0,0,1,0,0|1,0,1]=4 106 B6R1.5 O[C@H]1C[C@H](F)C1 2202-3-E1 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.10 CC1(F)CNC1 3H31-7-59 [1,0,0,1,0,0|2,0,0]=4 108 B6R1.10 CC1(N)CNC1 3H30-5-3Y [1,0,0,1,0,0|2,0,0]=4 109 B6R1.11 CC(O)C1CO1 2109-1-08 [1,0,0,1,0,0|1,0,1]=4 110 B6R1.6 NNC1CCC1 3239-5-02 [1,0,0,1,0,0|2,0,0]=4 111 B6R1.6 O=CC1COC1 2H15-1-22 [1,0,0,1,0,0|1,0,0]=3 112 B8R1.1 CN1CCC(CCl)C1 3H32-5-HY [0,1,0,1,0,0|1,0,1]=4 113 B8R1.1 CN1CC[C@@H](CO)C1 4H56-1-RZ [0,1,0,1,0,0|0,0,2]=4 114 B8R1.1 CN1CC[C@H](CN)C1 3H30-1-DU [0,1,0,1,0,0|1,0,1]=4 115 B8R1.4 CC1CCNC(C)C1 3H33-5-1C [0,1,0,1,0,0|1,0,1]=4 116 B8R1.4 C[C@@H]1C[C@H](O)CCN1 4H56-5-R7 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.4 C[C@H]1C[C@@H](O)CCN1 4H56-5-1R [0,1,0,1,0,0|2,0,0]=4 118 B8R1.4 O=C1CCCC(Br)C1 2217-9-0B [0,1,0,1,0,0|1,0,0]=3 119 B8R1.4 O=C1CCCC(Cl)C1 2217-5-08 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.53 CC1(C)CC(CBr)C1 1200-9-0A [0,1,0,1,0,0|1,0,1]=4 121 B8R1.53 CC1(C)CC(CN)C1 3230-1-0A [0,1,0,1,0,0|1,0,1]=4 122 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [0,1,0,1,0,0|1,0,1]=4 123 B8R1.2 C#CC1CCCCN1 3H31-5-0A [0,1,0,1,0,0|1,0,1]=4 124 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [0,1,0,1,0,0|1,0,1]=4 125 B8R1.2 COC1C=CCCC1 2407-1-00 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.2 COC1CCCCC1 2207-1-07 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.2 ClCC1CCNCC1 3H31-5-6Q [0,1,0,1,0,0|1,0,1]=4 128 B8R1.2 FCC1CCNCC1 3H31-7-0N [0,1,0,1,0,0|1,0,1]=4 129 B8R1.2 ICC1CCNCC1 3H31-M-05 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.2 N#CC1CCCCS1 7H37-1-04 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.2 NNC1CCNCC1 3H39-5-22 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.2 OCC1CCCNC1 4H56-1-910 [0,1,0,1,0,0|0,0,2]=4 133 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [0,1,0,1,0,0|0,0,2]=4 134 B8R1.5 CC1COCCC1=O 2H17-1-79 [0,1,0,1,0,0|0,0,0]=2 135 B8R1.5 C[C@@H]1CNCCN1C 3H31-1-R0 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.5 C[C@H]1CNCCN1C 3H31-1-S0 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.5 O=C1CCOCC1Cl 2H17-5-24 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.10 CNCCC1CCC1 3231-1-07 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.22 CC1CCCCCN1 3H31-1-F4 [0,1,0,1,0,0|1,0,1]=4 140 B8R1.47 CCN1CC(CN)C1 3H30-1-LG [0,1,0,1,0,0|1,0,1]=4 141 B8R1.47 COC1CC(CBr)C1 2207-9-01 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.47 CO[C@H]1C[C@@H](CN)C1 4256-5-Z1 [0,1,0,1,0,0|1,0,1]=4 143 B8R1.47 CO[C@H]1C[C@H](CN)C1 4256-5-E1 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.52 CC1(CN)CCNC1 3H30-5-3X [0,1,0,1,0,0|1,0,1]=4 145 B8R1.52 CC1(CO)CCNC1 4H01-1-76 [0,1,0,1,0,0|0,0,2]=4 146 B8R1.52 C[C@]1(CO)CCCN1 4H56-5-A4 [0,1,0,1,0,0|0,0,2]=4 147 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,1,0,1,0,0|1,0,0]=3 152 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,1,0,1,0,0|0,0,0]=2 153 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.54 NC(C(=O)O)C1CC1 4257-1-23 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.54 N[C@H](C(=O)O)C1CC1 4257-1-S8 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [0,1,0,1,0,0|1,0,0]=3 162 B8R1.78 O=C(O)C1(F)CNC1 4H21-3-4U [0,1,0,1,0,0|2,0,0]=4 163 B8R1.78 O=[N+]([O-])C1(Br)CCC1 4254-9-00 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.8 NNCC1CCCC1 3239-1-02 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.8 OCCC1CCCC1 2201-1-0D [0,1,0,1,0,0|0,0,2]=4 166 B8R2.42 C1CC2(C1)CCN2 3H31-1-1V [0,0,0,2,0,0|2,0,0]=4 167 B8R2.31 BrCC12CC(C1)C2 1200-9-22 [0,0,0,2,0,0|1,0,1]=4 168 B8R2.31 CNC12CC(C1)C2 3231-5-09 [0,0,0,2,0,0|2,0,0]=4 169 B8R2.31 N#CC12CC(C1)C2 3237-1-06 [0,0,0,2,0,0|1,0,1]=4 170 B8R2.31 NNC12CC(C1)C2 3239-5-00 [0,0,0,2,0,0|2,0,0]=4