0 B8R0.16 COC(=CC(C)=O)OC A50819 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.12 C#CCC(OC)OC 51903 [1,0,0,0,0,0|0,0,2]=3 5 B9R0.26 COC(CC(=O)NN)OC D88042 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.41 CCC(CC)[C@H](N)C(=O)O AT24642 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.41 CCC(CC)[C@H](N)C(=O)O AT24735 [0,1,0,0,0,0|3,0,0]=4 8 B9R0.41 CCC(CC)[C@H](N)C(=O)O AT24737 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.2 COC1=CC(=O)CCC1 63648 [0,0,0,1,0,0|1,0,2]=4 11 B9R1.2 COC1=CCC=C(C)C1 AC4015 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.13 CC(=O)CC1CCCC1 N12760 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.13 CC(=O)CN1CCCC1 F50500 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.13 O=C(O)CC1SCCS1 AT15646 [0,0,0,1,0,0|1,2,0]=4 15 B9R1.124 COC1(OC)CC(N)C1 P14267 [0,0,0,1,0,0|1,0,1]=3 16 B7R0.15 CCC(CC)C(N)=O AC2944 [0,0,0,0,1,0|3,0,0]=4 17 B7R0.15 COC(OC)C(=O)O AT19758 [0,0,0,0,1,0|1,0,0]=2 18 B9R0.43 CCN(CC)CCC(C)=O C15585 [0,0,0,0,0,1|3,0,0]=4 19 B6R0.2 CC(C)C[C@H](C)N 90224 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.4 CNCCC(N)=O C78256 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 COCOC(C)=O D72003 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.4 NOCCC(=O)O AT14539 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.9 CCC(OC)OC D87756 [2,0,0,0,0,0|0,0,0]=2 24 B6R0.9 [C-]#[N+]C(OC)OC S10362 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [1,1,0,0,0,0|2,0,0]=4 27 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.19 COC(=O)CC(=O)CBr S11869 [1,1,0,0,0,0|0,0,2]=4 31 B8R0.11 COC(C#CC=O)OC AT19998 [1,1,0,0,0,0|0,0,1]=3 32 B8R0.11 COC(\C=C\C=O)OC T72438 [1,1,0,0,0,0|0,0,1]=3 33 B8R0.22 COC(CSC)CSC T70761 [1,1,0,0,0,0|1,1,0]=4 34 B8R0.18 CO[C@H](C(=O)O)C(C)C 96143 [0,1,0,0,1,0|2,0,0]=4 35 B8R0.18 CO[C@H](C(=O)O)C(C)C AC6556 [0,1,0,0,1,0|2,0,0]=4 36 B10R0.79 CCOC(CC(N)=O)OCC 81949 [0,2,0,0,0,0|1,0,0]=3 37 B10R0.79 CCOC(C[N+](=O)[O-])OCC W11149 [0,2,0,0,0,0|2,0,0]=4 38 B10R0.153 COC(CC(C)(C)C=O)OC E72566 [0,2,0,0,0,0|0,0,1]=3 39 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [1,0,0,1,0,0|0,0,2]=4 47 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.18 CC1CC(=O)OC1C AC8330 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.18 CC1CC(=O)OC1O S10278 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.18 CC1NC(=O)CC1O 94943 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.43 CCC1CC1C(=O)O AT12378 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.2 CC[C@H]1CNCCO1 D75750 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,0,0,1,1,0|2,0,0]=4 60 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,0,1,1,0|1,0,0]=3 61 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,1,0,1,0,0|2,0,0]=4 62 B10R1.18 O=C(O)C[C@H]1COCCN1 77662 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.18 O=C(O)C[C@H]1COCCN1 77663 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.18 O=C(O)C[C@H]1COCCN1 77664 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.18 O=C(O)C[C@H]1COCCO1 39095 [0,1,0,1,0,0|1,0,0]=3 66 B10R1.27 COC(=O)C[C@H]1CCCN1 D78493 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.27 COC(=O)C[C@H]1CCCO1 F52226 [0,1,0,1,0,0|1,0,0]=3 68 B10R1.491 COC1(OC)CC(CI)C1 27209 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.491 COC1(OC)CC(CN)C1 P13661 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.113 CC(C)[C@@H]1CC(=O)CCN1 70965 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.113 CN(C)[C@H]1CCCC(=O)C1 D73606 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.370 CC1(CC(N)=O)OCCO1 AC7623 [0,1,0,1,0,0|1,0,0]=3 73 B10R2.20 CN1C2CCC1C(=O)C2 F13958 [0,0,0,2,0,0|2,0,0]=4 74 B10R2.2 O=C1CC2CCOC2O1 D74390 [0,0,0,2,0,0|2,0,0]=4 75 B10R2.316 C=C1CC2(C1)OCCO2 P13691 [0,0,0,2,0,0|1,0,0]=3 76 B10R2.316 NC1CC2(C1)OCCO2 AT11241 [0,0,0,2,0,0|1,0,1]=4 77 B10R2.316 O=C1CC2(C1)OCCO2 P20305 [0,0,0,2,0,0|0,0,0]=2 78 B6R0.3 C[C@H](ON)C(=O)O AT14508 [1,0,0,0,1,0|2,0,0]=4 79 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [1,0,0,0,0,1|2,0,0]=4