0 B12R2.509 C=C1C2(C)CCC(C1(C)C)C2 1P006YXO [0,0,0,0,0,0|1,0,0]=1 1 B12R2.509 C=C1[C@@]2(C)CC[C@@H](C1(C)C)C2 1P006T7N [0,0,0,0,0,0|1,0,0]=1 2 B12R2.509 O=C1C2(C)CCC(C1(C)C)C2 1P00DEQ1 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.509 O=C1[C@]2(C)CC[C@H](C1(C)C)C2 1P003BS9 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.509 OC1C2(C)CCC(C1(C)C)C2 1P00IMYA [0,0,0,0,0,0|0,0,2]=2 5 B12R2.509 O[C@H]1[C@@]2(C)CC[C@@H](C1(C)C)C2 1P018XLA [0,0,0,0,0,0|0,0,2]=2 6 B11R2.204 C=C1C2CCC(C1(C)C)C2 1P003P5G [1,0,0,0,0,0|1,0,0]=2 7 B11R2.204 NC1C2CCC(C1(C)C)C2 1P01EIKI [1,0,0,0,0,0|1,0,1]=3 8 B11R2.204 O=C1C2CCC(C1(C)C)C2 1P0010OY [1,0,0,0,0,0|0,0,0]=1 9 B11R2.204 O=C1C2CCC(C1(F)F)C2 1P02860U [1,0,0,0,0,0|2,0,0]=3 10 B13R2.2794 N#CC1C2(C)CCC(C1(C)C)C2 1P019ZX9 [0,1,0,0,0,0|1,0,1]=3 11 B13R2.2794 ON=C1[C@@]2(C)CC[C@@H](C1(C)C)C2 1P01DIT7 [0,1,0,0,0,0|0,0,1]=2 12 B13R2.21280 C[C@@]1(O)[C@@]2(C)CC[C@@H](C1(C)C)C2 1P0281LB [0,1,0,0,0,0|0,0,2]=3 13 B11R1.492 O=C1CC(C(=O)C1(C)C)(C)C 1P01G9HZ [0,0,1,0,0,0|1,0,1]=3 14 B11R1.1105 CN(C(=O)C1(C)CCCN1)C 1P01BGJV [0,0,1,0,0,0|2,0,0]=3 15 B11R1.1105 CN(C(=O)C1(N)CCCC1)C 1P019YRJ [0,0,1,0,0,0|2,0,0]=3 16 B11R1.1105 CN(C(=O)C1(N)CCCC1)C 1P01AEJU [0,0,1,0,0,0|2,0,0]=3 17 B11R1.1322 CN1C(C)(C)CCCC1(C)C 1P00330K [0,0,1,0,0,0|2,0,0]=3 18 B11R1.1322 ClN1C(C)(C)CCCC1(C)C 1P00CMZP [0,0,1,0,0,0|2,0,0]=3 19 B11R1.1322 NC1C(C)(C)CCCC1(C)C 1P028KDD [0,0,1,0,0,0|1,0,1]=3 20 B11R1.1322 O=C1C(C)(C)CCCC1(C)C 1P000JCV [0,0,1,0,0,0|0,0,0]=1 21 B11R1.1322 O=C1C(C)(C)COCC1(C)C 1P0042U8 [0,0,1,0,0,0|1,0,0]=2 22 B11R1.1322 OC1C(C)(C)CCCC1(C)C 1P005LNO [0,0,1,0,0,0|0,0,2]=3 23 B11R1.1322 OC1C(C)(C)CNCC1(C)C 1P028Y7W [0,0,1,0,0,0|1,0,2]=4 24 B11R1.1322 ON1C(C)(C)CCCC1(C)C 1P003789 [0,0,1,0,0,0|1,0,1]=3 25 B11R1.1322 [O]N1C(C)(C)CCCC1(C)C 1P00363G [0,0,1,0,0,0|1,0,1]=3 26 B10R1.6 NCC(C1CCCC1)(C)C 1P01A2R4 [1,0,1,0,0,0|1,0,1]=4 27 B10R1.6 O=CC(C1COCC1)(C)C 1P00N81Z [1,0,1,0,0,0|1,0,0]=3 28 B10R1.6 O=CC(N1CCCC1)(C)C 1P00CO2H [1,0,1,0,0,0|1,0,0]=3 29 B10R1.6 OCC(C1CCCC1)(C)C 1P01A3C7 [1,0,1,0,0,0|0,0,2]=4 30 B10R1.55 NC1CCC(C1)C(C)(C)C 1P01B59D [1,0,1,0,0,0|1,0,1]=4 31 B10R1.55 NC1CCC(C1)C(C)(C)C 1P028LC8 [1,0,1,0,0,0|1,0,1]=4 32 B10R1.55 NC1CCC(C1)P(=O)(C)C 1P028MTR [1,0,1,0,0,0|2,0,0]=4 33 B10R1.540 NC1C(C)(C)CCC1(C)C 1P028MLW [1,0,1,0,0,0|1,0,1]=4 34 B10R1.540 O=C1C(C)(C)CCC1(C)C 1P00DBGZ [1,0,1,0,0,0|0,0,0]=2 35 B10R1.540 OC1C(C)(C)CCC1(C)C 1P0282RH [1,0,1,0,0,0|0,0,2]=4 36 B10R1.560 BrC1CC(OC1(C)C)(C)C 1P028AUQ [1,0,1,0,0,0|2,0,0]=4 37 B10R1.560 NC1CC(CC1(C)C)(C)C 1P00HYHY [1,0,1,0,0,0|1,0,1]=4 38 B10R1.560 NC1CC(OC1(C)C)(C)C 1P00J3EJ [1,0,1,0,0,0|2,0,0]=4 39 B10R1.560 NC1CC(OC1(C)C)(C)C 1P01A5HR [1,0,1,0,0,0|2,0,0]=4 40 B10R1.560 OC1CC(NC1(C)C)(C)C 1P028JNB [1,0,1,0,0,0|2,0,0]=4 41 B10R1.560 OC1CC(OC1(C)C)(C)C 1P01AGJZ [1,0,1,0,0,0|2,0,0]=4 42 B10R1.114 CN1CCNC(=O)C1(C)C 1P00H3SI [1,0,1,0,0,0|2,0,0]=4 43 B10R1.114 O=C1CCCC(=O)C1(C)C 1P00DETE [1,0,1,0,0,0|1,0,1]=4 44 B10R1.119 CC1CCC(C(C1=O)C)C 1P00CSUK [1,0,1,0,0,0|0,0,0]=2 45 B10R1.119 CC1CCN(C(=O)C1N)C 1P0281W3 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.120 CC1CNC(C(O1)(C)C)C 1P028T6X [1,0,1,0,0,0|2,0,0]=4 47 B10R1.301 BrC1CCCC(C1=O)(C)C 1P0070IU [1,0,1,0,0,0|1,0,0]=3 48 B10R1.301 CC1CCCC(C1=O)(C)C 1P0033D6 [1,0,1,0,0,0|0,0,0]=2 49 B10R1.301 CN1CCNC(C1=O)(C)C 1P019ZUB [1,0,1,0,0,0|2,0,0]=4 50 B10R1.301 ClC1CCCC(C1=O)(C)C 1P01C3LN [1,0,1,0,0,0|1,0,0]=3 51 B10R1.220 N#CC1CCC(C1=O)(C)C 1P00I7L3 [1,0,1,0,0,0|1,0,1]=4 52 B10R1.236 CC1(CO)CCN(C1=O)C 1P01BYDL [1,0,1,0,0,0|2,0,0]=4 53 B10R1.238 OCC1(C)CCC(O1)(C)C 1P01JS8E [1,0,1,0,0,0|2,0,0]=4 54 B10R1.23 CC(C(=O)N1CCCC1)Cl 1P005ESS [1,0,1,0,0,0|2,0,0]=4 55 B10R1.23 CC(C(=O)N1CCCC1)N 1P00BL8O [1,0,1,0,0,0|2,0,0]=4 56 B10R1.23 C[C@@H](C(=O)N1CCCC1)N 1P01BI7Q [1,0,1,0,0,0|2,0,0]=4 57 B10R1.23 C[C@@H](C(=O)N1CCCC1)O 1P0017BL [1,0,1,0,0,0|2,0,0]=4 58 B10R1.23 C[C@H](C(=O)N1CCCC1)N 1P0099Y2 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.23 C[C@H](C(=O)N1CCCC1)O 1P00AM2B [1,0,1,0,0,0|2,0,0]=4 60 B10R1.23 FC(C(=O)C1CCCC1)F 1P0287YL [1,0,1,0,0,0|2,0,0]=4 61 B10R1.23 O=C(C1CCCN1)C(C)C 1P028PTO [1,0,1,0,0,0|1,0,0]=3 62 B10R1.23 O=C(C1CCCN1)N(C)C 1P00AAMS [1,0,1,0,0,0|2,0,0]=4 63 B10R1.23 O=C(C1CNCC1)N(C)C 1P00AAES [1,0,1,0,0,0|2,0,0]=4 64 B10R1.23 O=C(C1COCC1)N(C)C 1P028354 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.23 O=C([C@@H]1CCCN1)N(C)C 1P001MBJ [1,0,1,0,0,0|2,0,0]=4 66 B10R1.23 O=C([C@@H]1CCCN1)N(C)C 1P00BCS1 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.23 O=C([C@@H]1CNCC1)N(C)C 1P01DVPR [1,0,1,0,0,0|2,0,0]=4 68 B10R1.23 O=C([C@H]1CCCN1)N(C)C 1P00F332 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.23 O=C([C@H]1CNCC1)N(C)C 1P01JLSR [1,0,1,0,0,0|2,0,0]=4 70 B10R1.370 CC(CC1(C)CCCN1)C 1P01ANQB [1,0,1,0,0,0|1,0,1]=4 71 B10R1.370 CC(CC1(O)CCCC1)C 1P01AGYJ [1,0,1,0,0,0|1,0,1]=4 72 B10R1.411 BrCC(=O)C1(F)CCCC1 1P028YAJ [1,0,1,0,0,0|2,0,0]=4 73 B10R1.411 CCC(=O)C1(N)CCCC1 1P028JZS [1,0,1,0,0,0|1,0,0]=3 74 B10R1.411 CNC(=O)C1(C)CCCN1 1P0287LG [1,0,1,0,0,0|2,0,0]=4 75 B10R1.411 CNC(=O)C1(C)CNCC1 1P01BI2R [1,0,1,0,0,0|2,0,0]=4 76 B10R1.411 CNC(=O)C1(N)CCCC1 1P01A9KH [1,0,1,0,0,0|2,0,0]=4 77 B10R1.411 COC(=O)C1(Br)CCCC1 1P00DLD9 [1,0,1,0,0,0|2,0,0]=4 78 B10R1.411 COC(=O)C1(C)CCCN1 1P00DLS5 [1,0,1,0,0,0|2,0,0]=4 79 B10R1.411 COC(=O)C1(C)CCCO1 1P0016SR [1,0,1,0,0,0|2,0,0]=4 80 B10R1.411 COC(=O)C1(C)CNCC1 1P00HCKV [1,0,1,0,0,0|2,0,0]=4 81 B10R1.411 COC(=O)C1(C)CNCC1 1P01A097 [1,0,1,0,0,0|2,0,0]=4 82 B10R1.411 COC(=O)C1(C)COCC1 1P00ID0R [1,0,1,0,0,0|2,0,0]=4 83 B10R1.411 COC(=O)C1(N)CCCC1 1P0035M0 [1,0,1,0,0,0|2,0,0]=4 84 B10R1.411 COC(=O)C1(N)CCCC1 1P005MP5 [1,0,1,0,0,0|2,0,0]=4 85 B10R1.411 COC(=O)C1(O)CCCC1 1P00FH7B [1,0,1,0,0,0|2,0,0]=4 86 B10R1.411 COC(=O)[C@@]1(C)CCCN1 1P000YRM [1,0,1,0,0,0|2,0,0]=4 87 B10R1.411 COC(=O)[C@]1(C)CCCN1 1P00BH23 [1,0,1,0,0,0|2,0,0]=4 88 B10R1.411 NCC(=O)C1(C)CCCC1 1P01BXY8 [1,0,1,0,0,0|1,0,0]=3 89 B10R1.307 CC1(C)CCCC(C1)(C)N 1P028976 [1,0,1,0,0,0|1,0,1]=4 90 B10R1.307 CC1(C)CCCC(N1)(C)C 1P0033D5 [1,0,1,0,0,0|1,0,0]=3 91 B10R1.307 CC1(C)CNCC(C1)(C)C 1P01AD49 [1,0,1,0,0,0|1,0,1]=4 92 B10R1.307 CC1(C)CNCC(N1)(C)C 1P01BEYL [1,0,1,0,0,0|2,0,0]=4 93 B10R1.307 CC1(C)CNCC(N1)(C)C 1P027PZT [1,0,1,0,0,0|2,0,0]=4 94 B10R1.307 CC1(C)CNCC(O1)(C)C 1P002FQR [1,0,1,0,0,0|2,0,0]=4 95 B10R1.307 CC1(C)CNCC(O1)(C)C 1P01DUXE [1,0,1,0,0,0|2,0,0]=4 96 B10R1.307 CC1(C)COCC(N1)(C)C 1P01FKUV [1,0,1,0,0,0|2,0,0]=4 97 B10R2.25 C=C1C2CCC(C1=O)C2 1P003K7W [2,0,0,0,0,0|0,0,2]=4 98 B10R2.25 [S-]C1C2CCC(C1=O)C2 1P01FJT9 [2,0,0,0,0,0|1,0,0]=3 99 B10R2.28 CC1(O)CC2CC1CC2 1P01DEL6 [2,0,0,0,0,0|1,0,1]=4 100 B12R1.3856 C=CC1(C)CCC(O1)C(O)(C)C 1P003RR3 [0,1,1,0,0,0|2,0,0]=4 101 B12R1.3844 CN(C(=O)C1(CCCC1)C#N)C 1P01AIID [0,1,1,0,0,0|1,0,1]=4 102 B12R1.3844 NCC1(CCCC1)C(=O)N(C)C 1P01AIM8 [0,1,1,0,0,0|1,0,0]=3 103 B12R1.3844 OCC1(CCCC1)C(C(C)C)N 1P01C1YD [0,1,1,0,0,0|1,0,1]=4 104 B12R1.510 NC1CC(C)(C)N(C(C1)(C)C)[O] 1P003L8V [0,1,1,0,0,0|1,0,1]=4 105 B12R1.510 OC1CC(C)(C)N(C(C1)(C)C)[O] 1P0034JB [0,1,1,0,0,0|1,0,1]=4 106 B12R1.2514 Cl[Mg]N1C(C)(C)CCCC1(C)C 1P00C3TJ [0,1,1,0,0,0|2,0,0]=4 107 B12R1.2514 OCC1C(C)(C)CCCC1(C)C 1P028W74 [0,1,1,0,0,0|0,0,2]=4 108 B12R2.2264 NCC1C2CCC(C1(C)C)C2 1P01DX3Y [1,1,0,0,0,0|1,0,1]=4 109 B12R2.2264 NCC1C2CCC(C1(C)C)C2 1P028574 [1,1,0,0,0,0|1,0,1]=4 110 B12R2.2264 OCC1C2CCC(C1(C)C)C2 1P00BRXH [1,1,0,0,0,0|0,0,2]=4 111 B12R2.7207 NCC12CCC(C1)C(O2)(C)C 1P028HXD [1,1,0,0,0,0|1,0,0]=3 112 B12R2.7207 OCC12CCC(C1)C(O2)(C)C 1P028CVF [1,1,0,0,0,0|1,0,0]=3 113 B10R0.65 C=CC(CCCC(C)C)(O)C 1P00340R [0,0,2,0,0,0|2,0,0]=4 114 B10R0.142 CCC(C(C(=O)OC)(C)C)N 1P028S5Y [0,0,2,0,0,0|2,0,0]=4 115 B12R2.5594 C[C@@]12CC[C@@H](C1)C(NC2)(C)C 1P01B7VC [0,0,1,1,0,0|2,0,0]=4 116 B12R2.254 CC(C1NCC12CCCC2)C 1P01C2J9 [0,0,1,1,0,0|1,0,1]=4 117 B12R2.5106 O=C(C1(N)CCCC1)C2CC2 1P028RVT [0,0,1,1,0,0|1,0,0]=3 118 B12R2.5111 CN1CCC2(C1=O)CNCC2 1P00HFWL [0,0,1,1,0,0|2,0,0]=4 119 B12R3.4045 CC12C3C1CC(C2(C)C)C3 1P00DA99 [1,0,0,1,0,0|1,0,1]=4 120 B10R1.255 COC1C(C)C(=O)C1(C)C 1P01A45L [0,0,1,0,1,0|1,0,0]=3 121 B10R1.315 O=C1C(C)(C)C(=O)C1(C)C 1P003653 [0,0,1,0,1,0|1,0,1]=4 122 B10R1.315 OC1C(C)(C)C(=O)C1(C)C 1P01BCJM [0,0,1,0,1,0|1,0,0]=3 123 B10R1.495 CN(C(=O)C1(N)CCC1)C 1P00ATFH [0,0,1,0,1,0|2,0,0]=4 124 B12R1.3007 O=C1CC(C)(C)CC(=O)C1(C)C 1P005X5R [0,0,1,0,0,1|1,0,1]=4 125 B12R1.2206 CC(C(=O)C1(C)CCCCC1)O 1P01BA58 [0,0,1,0,0,1|1,0,0]=3 126 B12R1.2206 CN(C(=O)C1(N)CCCCC1)C 1P01AEIK [0,0,1,0,0,1|2,0,0]=4 127 B12R2.2482 CC1(C)C[C@H]2NC[C@@](C1)(C2)C 1P00D9VF [1,0,0,0,0,1|1,0,1]=4 128 B12R2.5234 CC12CCC(CC1)C(O2)(C)C 1P00I92E [1,0,0,0,0,1|1,0,0]=3