0 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-S6 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-X0 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.6 CCCCCC(O)CC 2102-1-11 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.6 CCCOCC(O)CO 2104-1-31 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.7 CCCCCCC(=O)O 2121-1-14 [1,0,0,0,0,0|0,0,0]=1 5 B8R0.7 CCCCCC[C@H](C)O 2102-1-S1 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.7 CCCCCOC(=O)Cl 2116-5-07 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.7 O=C(O)CCCCCBr 2121-9-X0 [1,0,0,0,0,0|1,0,0]=2 8 B10R0.83 COC(=O)[C@@H](N)CCCCN 4158-5-S01 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.23 N[C@H](C(=O)O)C1CCCC1 4257-1-S5 [0,0,0,1,0,0|1,0,0]=2 10 B10R1.113 CC(=O)N1CCCC(O)C1 4H20-1-06 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 4H58-1-S05 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.348 O=C(O)C1CCCCCC1 2221-1-X8 [0,0,0,1,0,0|0,0,0]=1 15 B10R1.363 CC1(C(=O)O)CCCCC1 2221-1-X0 [0,0,0,1,0,0|0,0,0]=1 16 B10R1.363 CC1(C(=O)O)CCCNC1 4H58-1-BF [0,0,0,1,0,0|1,0,0]=2 17 B10R1.363 CC1(C(=O)O)CCCNC1 4H58-5-94 [0,0,0,1,0,0|1,0,0]=2 18 B10R1.363 NC1(C(=O)O)CCCCC1 4257-1-17 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.363 O=C(O)C1(O)CCCCC1 2229-1-0U [0,0,0,1,0,0|1,0,0]=2 20 B7R0.1 C#CCCCCCC 1500-1-X3 [2,0,0,0,0,0|1,0,1]=4 21 B7R0.1 C=CCCCCCBr 1300-9-X1 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.1 C=CCCCCCC 1300-1-08 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.1 CCCCCCCF 1100-3-71 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.1 NCCCCCCO 4156-1-08 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.1 OCCCCCCBr 2101-9-X0 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.1 OCCCCCCCl 2101-5-16 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.1 OCCCCCCO 2104-1-35 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [2,0,0,0,0,0|0,0,2]=4 29 B7R0.4 CCCCCB(O)O 6160-1-07 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [2,0,0,0,0,0|0,0,2]=4 32 B7R0.4 NCCCCC(=O)O 4157-1-37 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.4 NCCNCC(=O)O 4158-1-1D [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 NCCOCC(=O)O 4157-1-05 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [2,0,0,0,0,0|1,0,0]=3 37 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [2,0,0,0,0,0|2,0,0]=4 40 B9R0.5 CCCCCC(C)N=C=S 7168-1-08 [1,1,0,0,0,0|0,1,1]=4 41 B9R0.2 CC(=O)OCCCCCBr 2123-9-09 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.2 CCCCCCCC(=O)O 2121-1-X9 [1,1,0,0,0,0|0,0,0]=2 43 B9R0.2 CCCCCCCC(N)=O 4148-1-0H [1,1,0,0,0,0|1,0,0]=3 44 B9R0.2 CCCCCCNC(N)=S 7167-1-16 [1,1,0,0,0,0|1,1,0]=4 45 B9R0.2 CCCCCCOC(=O)Cl 2116-5-10 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.2 NCCCCCCC(=O)O 4157-1-15 [1,1,0,0,0,0|0,0,0]=2 47 B9R0.2 O=C(O)CCCCCCBr 2121-9-X1 [1,1,0,0,0,0|0,0,0]=2 48 B9R0.55 CC(=O)CCCCC(=O)O 2121-1-X0 [1,1,0,0,0,0|0,0,1]=3 49 B9R0.55 CN(C)CCCCC(=O)O 4133-5-02 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.13 CCCCC(CC)C(=O)[O-] 2122-1-13 [1,1,0,0,0,0|0,0,1]=3 51 B9R0.51 CCCCC(C)(C)C(=O)O 2121-1-11 [1,1,0,0,0,0|0,0,0]=2 52 B9R0.51 CCCCC(F)(F)C(=O)O 2121-3-96 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.51 CCCCC(F)(F)C(=O)[O-] 2122-3-56 [1,1,0,0,0,0|1,0,1]=4 54 B11R0.318 NC(CCCC(F)(F)F)C(=O)O 4157-3-16 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.1 CCC1CCC(C)NC1 3H31-1-1D [1,0,0,1,0,0|2,0,0]=4 56 B9R1.2 CN1CCCC(CO)C1 4H56-1-XN [1,0,0,1,0,0|1,0,1]=4 57 B9R1.3 CN1CCCN(C)C1=O 4H17-1-73 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.3 CN1CCCN(C)C1=O 4H17-3-0K [1,0,0,1,0,0|2,0,0]=4 59 B9R1.118 CC1(C=O)CCCCC1 2215-1-X3 [1,0,0,1,0,0|0,0,0]=2 60 B9R1.118 NC1(CO)CCCCC1 4256-1-X0 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.6 CC(=O)C1CCOCC1 2H17-1-Y6 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.6 CC(O)C1CCCCC1 2202-1-1H [1,0,0,1,0,0|1,0,1]=4 63 B9R1.6 NC(=O)C1CCNCC1 4H48-1-D8 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.6 NC(=O)C1CCOCC1 4H48-1-H1 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.6 O=C(Cl)C1CCCCC1 2216-5-06 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.6 O=C(Cl)C1CCOCC1 P311-A-24 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.6 O=C(O)C1=CCCCC1 2421-1-0A [1,0,0,1,0,0|0,0,2]=4 68 B9R1.6 O=C(O)C1CC=CCC1 2421-1-00 [1,0,0,1,0,0|0,0,2]=4 69 B9R1.6 O=C(O)C1CCCCN1 4H57-1-W5 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.6 O=C(O)C1CCCCN1 4H58-5-BW [1,0,0,1,0,0|1,0,0]=3 71 B9R1.6 O=C(O)C1CCCOC1 2H21-1-12 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.6 O=C(O)C1CCNCC1 4257-1-14 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.6 O=C(O)C1CCOCC1 P911-A-47 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.6 O=C(O)C1CNCCO1 4H58-5-8Y [1,0,0,1,0,0|2,0,0]=4 75 B9R1.6 O=C(O)C1CSCCN1 8H21-1-Y5 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.6 O=C(O)[C@@H]1CC=CCC1 2421-1-S0 [1,0,0,1,0,0|0,0,2]=4 77 B9R1.6 O=C(O)[C@@H]1CCCNC1 4H21-1-XV [1,0,0,1,0,0|1,0,0]=3 78 B9R1.6 O=C(O)[C@@H]1CNCCN1 4H21-1-S2 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.6 O=C(O)[C@@H]1CNCCN1 G311-A-13 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.6 O=C(O)[C@H]1CC=CCC1 2421-1-R0 [1,0,0,1,0,0|0,0,2]=4 81 B9R1.6 O=C(O)[C@H]1CCCCN1 4H58-1-RE [1,0,0,1,0,0|1,0,0]=3 82 B9R1.6 O=C(O)[C@H]1CNCCN1 4H21-5-Z4 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.6 O=C(O)[C@H]1CNCCO1 4H58-5-RA [1,0,0,1,0,0|2,0,0]=4 84 B9R1.6 O=C(O)[C@H]1COCCN1 4H58-5-R9 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.6 OB(O)C1CCCCC1 6260-1-01 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.13 O=C(Cl)OC1CCCC1 2223-5-X0 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.13 O=C(O)CC1CCCC1 2221-1-Y3 [1,0,0,1,0,0|0,0,0]=2 88 B9R1.13 O=C(O)CN1CCCC1 4H21-5-Z6 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.41 CN1CCC[C@H]1C(=O)O 4H58-1-SW [1,0,0,1,0,0|1,0,0]=3 90 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [1,0,0,1,0,0|1,0,0]=3 91 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [1,0,0,1,0,0|2,0,0]=4 95 B9R1.110 NC(C(=O)O)C1CCC1 4257-1-07 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-5-S3 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H57-5-R3 [1,0,0,1,0,0|1,0,0]=3 98 B11R1.568 O=C1CCCCCCC1(F)F 2217-3-04 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.36 CC(C(=O)O)N1CCNCC1 4H57-1-W3 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 4257-1-18 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.878 COC(=O)C1(C)CCNCC1 4H58-5-92 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.878 COC(=O)C1(N)CCOCC1 4H58-5-95 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 2221-1-Y2 [0,1,0,1,0,0|1,0,1]=4 104 B11R2.845 O=C(O)C1CC2CCC1C2 2221-1-X5 [0,0,0,2,0,0|0,0,0]=2 105 B11R2.1852 O=C(O)C1C2CCCCC21 2221-1-X7 [0,0,0,2,0,0|0,0,0]=2