0 B10R1.18 CC(O)CC1COCCN1 4H02-1-01 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 O=C(O)C=C1CCCCC1 2221-1-0C [0,0,0,0,0,0|0,0,2]=2 2 B10R1.18 O=C(O)CC1COCCN1 4H21-5-2K [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CCC[C@@H]1CCCCN1 3H31-5-RD [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 CCC[C@H]1CCCCN1 3H31-5-SD [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 FCCC1CCNCC1 3H31-3-50 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 NCCC1CCSCC1 7H66-1-0B [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 O=CNC1=CCCCC1 4448-1-07 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.8 OCCC1CNCCO1 4H01-5-1S [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 OCC[C@@H]1CCCCN1 4H56-1-S20 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.8 OCC[C@@H]1CCCCN1 4H56-5-SD [1,0,0,0,0,0|1,0,1]=3 11 B11R1.36 FC(F)=C(F)C1CCCCC1 1400-3-06 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 4257-1-S0 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.40 CC(CO)CN1CCCCC1 4H01-1-DC [0,1,0,0,0,0|2,0,1]=4 14 B11R1.40 COC(=O)C=C1CCCCC1 2323-1-0N [0,1,0,0,0,0|0,0,2]=3 15 B11R1.40 COC(=O)C[C@H]1CCCNC1 4H58-5-CC [0,1,0,0,0,0|1,0,0]=2 16 B11R1.86 CC1CNCCN1CC(=O)O 4H58-1-482 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.86 O=C(O)CC1CCCCC1=O 2229-1-0L [0,1,0,0,0,0|0,0,1]=2 18 B11R1.509 CS(=O)(=O)CC1CCCNC1 8H63-1-3M [0,1,0,0,0,0|2,0,1]=4 19 B11R1.509 CS(=O)(=O)CC1CCNCC1 8H63-1-3N [0,1,0,0,0,0|2,0,1]=4 20 B11R1.509 NS(=O)(=O)CC1CCCNC1 8H69-1-6N [0,1,0,0,0,0|2,0,1]=4 21 B11R2.678 O[C@H]1C[C@@H]2CCC[C@H](C1)N2 4H56-5-C9 [0,0,0,1,0,0|2,0,1]=4 22 B11R2.703 O=C1CC2(CCCCC2)C1 2217-1-0H [0,0,0,1,0,0|1,0,0]=2 23 B11R2.703 O=C1CC2(CCCNC2)N1 4H48-1-015 [0,0,0,1,0,0|2,0,0]=3 24 B11R2.703 O=C1CC2(CCNCC2)N1 4H48-1-011 [0,0,0,1,0,0|2,0,0]=3 25 B11R2.703 OC1CC2(CCNCC2)C1 4H02-5-0D [0,0,0,1,0,0|2,0,1]=4 26 B9R1.6 O=C(Cl)C1CCNCC1 4H16-5-0C [0,0,0,0,1,0|2,0,0]=3 27 B9R1.6 O=C(O)C1=CCOCC1 2H21-1-13 [0,0,0,0,1,0|1,0,2]=4 28 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 NC(=O)COC1CCCCC1 4248-1-32 [0,0,0,0,0,1|1,0,0]=2 30 B11R1.91 O=C(O)CCC1CNCCN1 4H21-3-66 [0,0,0,0,0,1|2,0,0]=3 31 B8R0.7 C=C(C)CCCCCC 1300-1-30 [1,0,1,0,0,0|2,0,0]=4 32 B8R0.7 CC#CCCCC(=O)O 2521-1-09 [1,0,1,0,0,0|0,0,2]=4 33 B8R0.7 NOCCCCC(=O)O 4121-9-01 [1,0,1,0,0,0|2,0,0]=4 34 B8R0.5 CCCC(N)CC(=O)O 4158-1-50 [1,0,1,0,0,0|1,0,0]=3 35 B8R1.2 BrCC1CCCNC1 3H32-D-3Z [2,0,0,0,0,0|2,0,0]=4 36 B8R1.2 CC[C@@H]1CCCCN1 3H31-5-RC [2,0,0,0,0,0|1,0,1]=4 37 B8R1.2 COC1CCCCC1 2207-1-07 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.2 ClCC1CCNCC1 3H31-5-6Q [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 FCC1CCNCC1 3H31-7-0N [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 ICC1CCNCC1 3H31-M-05 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 OCC1CCCNC1 4H56-1-910 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 OCC1CNCCO1 4H56-5-JJ [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 OCC1COCCN1 4H56-5-JK [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 OC[C@H]1CCCCN1 4H01-1-R3 [2,0,0,0,0,0|1,0,0]=3 45 B10R0.4 CCOCCOCCC(=O)O 2121-1-48 [0,1,1,0,0,0|1,0,0]=3 46 B10R0.22 O=P(O)(O)CCCCCCBr 6177-9-20 [0,1,1,0,0,0|2,0,0]=4 47 B10R1.1 CCCC1CCC(N)CC1 3230-1-0M [1,1,0,0,0,0|1,0,1]=4 48 B10R1.15 N[C@H](CO)C1CCCCC1 4256-1-37 [1,1,0,0,0,0|0,0,1]=3 49 B10R1.17 COCCC1CCCCN1 4H07-1-79 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.17 O=C=NCC1CCOCC1 4H49-1-X4 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.17 OCCCC1CCCNC1 4H56-1-0G3 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.13 CC1=CCC(C(=O)O)CC1 2421-1-10 [0,1,0,0,1,0|0,0,2]=4 53 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 2216-5-05 [0,1,0,0,1,0|1,0,0]=3 54 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 4H58-5-4B [0,1,0,0,1,0|1,0,0]=3 55 B10R1.13 O=C1CCC(C(=O)Cl)CC1 2216-5-02 [0,1,0,0,1,0|1,0,1]=4 56 B10R1.61 NC(=O)[C@@H]1CCCC[C@@H]1N 4248-5-00 [0,1,0,0,1,0|1,0,0]=3 57 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O 4457-5-02 [0,1,0,0,1,0|0,0,2]=4 58 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O 4457-1-01 [0,1,0,0,1,0|0,0,2]=4 59 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O 4257-1-13 [0,1,0,0,1,0|0,0,0]=2 60 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O 4457-5-01 [0,1,0,0,1,0|0,0,2]=4 61 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O 4457-1-00 [0,1,0,0,1,0|0,0,2]=4 62 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O 4257-5-18 [0,1,0,0,1,0|0,0,0]=2 63 B10R1.61 O=C(O)C1CCCCC1=O 2229-1-0J [0,1,0,0,1,0|0,0,1]=3 64 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,1,0,0,1,0|0,0,0]=2 65 B10R1.113 O=C1CCCC(C(=O)O)C1 2229-1-X0 [0,1,0,0,1,0|0,0,1]=3 66 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,1,0,0,1,0|0,0,0]=2 67 B10R1.363 CC(=O)C1(C)CCOCC1 2H17-1-87 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 4H21-1-SK [0,1,0,0,1,0|1,0,0]=3 69 B10R1.363 C[C@]1(C(=O)O)CCCCN1 4H21-1-RK [0,1,0,0,1,0|1,0,0]=3 70 B10R1.363 NC1(C(=O)O)CCSCC1 8H66-1-8K [0,1,0,0,1,0|1,0,0]=3 71 B10R1.23 NC(C(=O)O)C1CCCC1 4257-1-22 [0,1,0,0,1,0|0,0,0]=2 72 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 4257-1-R5 [0,1,0,0,1,0|0,0,0]=2 73 B10R1.23 O=C(O)C(Br)C1CCCC1 2221-9-00 [0,1,0,0,1,0|0,0,0]=2 74 B10R1.27 COC(=O)C=C1CCCC1 2323-1-0X [0,1,0,0,1,0|0,0,2]=4 75 B10R1.54 CN1CCC(CC(=O)O)C1 4H21-5-2L [0,1,0,0,1,0|1,0,0]=3 76 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 4H48-1-SN [0,1,0,0,1,0|1,0,1]=4 77 B12R1.21 CN1CCN(CCC(=O)O)CC1 4H58-5-9T [0,1,0,0,0,1|2,0,0]=4 78 B12R1.49 COC(=O)C=C1CCC(C)CC1 2323-1-0P [0,2,0,0,0,0|0,0,2]=4 79 B12R1.1819 O=C(O)CC1CCC(F)(F)CC1 2221-3-07 [0,2,0,0,0,0|0,0,0]=2 80 B12R1.34 COC(=O)C(=O)C1CCCCC1 2229-1-1K [0,2,0,0,0,0|0,0,1]=3 81 B12R1.225 CC1CCCC(C(N)C(=O)O)C1 4257-1-02 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.253 CC(C)(C(N)=O)C1CCNCC1 4H48-1-B0 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.50 COC(=O)CC1CCCC(=O)C1 2229-1-X9 [0,2,0,0,0,0|0,0,1]=3 84 B12R1.3524 COC(=O)CC1(N)CCCCC1 4258-1-64 [0,2,0,0,0,0|0,0,0]=2 85 B12R1.101 CC1CC(CC(=O)O)CC(C)O1 2H21-1-0D [0,2,0,0,0,0|1,0,0]=3 86 B10R1.66 NC(=O)COC1CCCC1 4248-1-31 [0,0,1,1,0,0|2,0,0]=4 87 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O 4H21-1-SB [0,0,1,1,0,0|1,0,0]=3 88 B10R2.1 NC1CC12CCCCC2 3230-5-11 [1,0,0,1,0,0|1,0,1]=4 89 B10R2.7 C1CCC2NCCC2C1 3H31-1-05 [1,0,0,1,0,0|1,0,1]=4 90 B10R2.408 C1CC2CNCC(C1)C2 3H31-5-0C [1,0,0,1,0,0|2,0,0]=4 91 B10R2.484 C1CC2(CCN1)CCO2 4H56-1-6L [1,0,0,1,0,0|1,0,1]=4 92 B10R2.484 C1CNCC2(C1)CCO2 4H22-1-39 [1,0,0,1,0,0|1,0,1]=4 93 B10R2.484 C1CNCC2(C1)CCO2 4H56-1-0K1 [1,0,0,1,0,0|1,0,1]=4 94 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 4H21-1-0E [0,0,0,1,1,0|1,0,0]=3 95 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O 4H21-1-FF [0,0,0,1,1,0|1,0,0]=3 96 B10R2.316 O=C1CC2(CCCC2)C1 2217-1-0G [0,0,0,1,1,0|1,0,0]=3 97 B12R2.1392 O=C(O)[C@H]1CC2CCN1CC2 4H58-5-DC [0,0,0,1,0,1|1,0,0]=3 98 B12R2.2918 O=C1CNC2(CCCCC2)N1 4H48-1-02X [0,0,0,1,0,1|1,0,0]=3 99 B12R2.2899 O=C1CC2CC(=O)CC(C1)C2 2218-1-11 [0,1,0,1,0,0|1,0,1]=4 100 B8R1.8 NNCC1CCCC1 3239-1-02 [1,0,0,0,1,0|2,0,0]=4 101 B8R1.8 OCCC1CCCC1 2201-1-0D [1,0,0,0,1,0|0,0,1]=3 102 B8R1.8 OCCC1CCNC1 4H56-1-327 [1,0,0,0,1,0|1,0,1]=4 103 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [0,0,0,0,2,0|2,0,0]=4 104 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [0,0,0,0,2,0|2,0,0]=4 105 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [0,0,0,0,2,0|2,0,0]=4 106 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,0,0,0,2,0|1,0,0]=3 107 B8R1.34 N=C(N)CC1CCC1 3241-5-01 [0,0,0,0,2,0|2,0,0]=4 108 B8R1.34 O=C(O)CC1CNC1 4H58-5-7G [0,0,0,0,2,0|1,0,0]=3