0 B9R1.37 CC1=C(O)C(=O)C[C@@H]1C D93041 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.37 C[C@H]1C(=O)CC(=O)N1C 79650 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,0,0,0,0,0|0,0,1]=2 3 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.50 CN1CCN(C)C1=O D77693 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.50 CN1CC[C@H](N)C1=O 51274 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,0,1,0,0,0|2,0,1]=4 9 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,0,1,0,0,0|1,0,2]=4 10 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,0,1,0,0,0|1,0,0]=2 12 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,0,1,0,0,0|1,0,2]=4 13 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,0,1,0,0,0|3,0,0]=4 14 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.22 CN1C(=O)CC(=O)NC1=O C15427 [0,0,0,0,0,1|2,0,1]=4 16 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,0,1,0,0,0|0,0,1]=3 17 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,0,1,0,0,0|0,0,1]=3 18 B7R0.2 CC[C@H](N)CC(=O)O 51922 [1,0,1,0,0,0|1,0,1]=4 19 B7R0.2 CC[C@H](N)CC(=O)O 52000 [1,0,1,0,0,0|1,0,1]=4 20 B7R0.2 CC[C@H](O)CC(=O)O C14017 [1,0,1,0,0,0|1,0,1]=4 21 B7R0.2 CO\C(C)=C/C(C)=O D93418 [1,0,1,0,0,0|1,0,1]=4 22 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [1,0,1,0,0,0|2,0,0]=4 23 B7R0.10 CC[C@H](O)C(=O)OC 98375 [1,0,1,0,0,0|2,0,0]=4 24 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [1,0,1,0,0,0|2,0,0]=4 25 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [1,0,1,0,0,0|2,0,0]=4 26 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [1,0,1,0,0,0|0,0,1]=3 27 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [1,0,1,0,0,0|0,0,1]=3 28 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [1,0,1,0,0,0|1,0,1]=4 30 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.3 C=CC(=O)NCCC AB9941 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.3 CCC(=O)OCCO A11774 [1,0,1,0,0,0|2,0,0]=4 33 B7R0.7 CCNC(=O)CCCl Y14703 [1,0,1,0,0,0|2,0,0]=4 34 B7R0.7 CCNC(=O)CNC A12930 [1,0,1,0,0,0|2,0,0]=4 35 B7R1.2 CC1=CC(=O)CO1 Y10351 [2,0,0,0,0,0|1,0,1]=4 36 B7R1.2 CN1CCC(=O)C1 64220 [2,0,0,0,0,0|1,0,1]=4 37 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [2,0,0,0,0,0|1,0,0]=3 38 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [2,0,0,0,0,0|1,0,1]=4 39 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [2,0,0,0,0,0|1,0,0]=3 40 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [2,0,0,0,0,0|1,0,0]=3 41 B7R1.2 C[C@H]1CNC(=O)O1 90054 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.2 C[C@H]1COC(=O)N1 O10180 [2,0,0,0,0,0|2,0,0]=4 43 B7R1.2 C[C@H]1COC(=O)N1 W17357 [2,0,0,0,0,0|2,0,0]=4 44 B7R1.2 C[C@H]1COC(=O)O1 D77722 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.2 NC1=CC(=O)CC1 90005 [2,0,0,0,0,0|1,0,1]=4 46 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [2,0,0,0,0,0|2,0,0]=4 48 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [2,0,0,0,0,0|2,0,0]=4 50 B7R1.2 O=C1C=C(Br)CC1 W19329 [2,0,0,0,0,0|1,0,1]=4 51 B7R1.2 O=C1C=C(I)CC1 A12694 [2,0,0,0,0,0|1,0,1]=4 52 B7R1.2 O=C1CC[C@H](O)C1 P13127 [2,0,0,0,0,0|1,0,1]=4 53 B7R1.2 O=C1C[C@H](O)CO1 12464 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.4 BrC1=C(Br)CCC1 79351 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.4 CC1CNCC1C P18713 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.4 CN1CCNC1=O 81682 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.4 N[C@H]1CCNC1=O 51276 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.4 N[C@H]1CCNC1=O 51277 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.4 N[C@H]1CCNC1=O 51278 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.4 N[C@H]1CCNC1=O F14678 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.4 N[C@H]1CCSC1=O O10218 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.4 O=C1NCC[C@@H]1Br 78555 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.4 O=C1OCC[C@@H]1O F14291 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.4 O[C@H]1CCC=C1Br D79898 [2,0,0,0,0,0|2,0,0]=4 65 B9R0.6 CCOC(=O)C(=O)C(C)=O C15077 [0,1,1,0,0,0|1,0,1]=4 66 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl D83266 [0,1,1,0,0,0|1,0,1]=4 67 B9R0.29 CN[C@H](C(=O)OC)C(C)C A51171 [0,1,1,0,0,0|2,0,0]=4 68 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [0,1,1,0,0,0|2,0,0]=4 69 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,1,1,0,0,0|1,0,0]=3 70 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,1,1,0,0,0|2,0,0]=4 71 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,1,1,0,0,0|1,0,0]=3 72 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,1,1,0,0,0|1,0,1]=4 73 B9R0.22 CCC(C)(C)CC(=O)OC Y10558 [0,1,1,0,0,0|2,0,0]=4 74 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,1,1,0,0,0|1,0,1]=4 75 B9R1.23 CN1C[C@@H](CI)CC1=O P20724 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.23 CN1C[C@@H](CN)CC1=O P10769 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.106 CC1(C)C(=O)NC[C@@H]1N P14863 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.132 CN1CC[C@H](CO)C1=O N12775 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.132 COC1=C(Br)C(=O)CC1 P19034 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,0,1,1,0,0|1,0,1]=4 84 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,0,1,1,0,0|1,0,1]=4 85 B9R1.79 COC(=O)CC1CCC1 20777 [0,0,1,1,0,0|2,0,0]=4 86 B9R1.79 O=C(CBr)CC1CCC1 D79065 [0,0,1,1,0,0|1,0,1]=4 87 B11R2.130 CN1CC2CCC(N2)C1=O P17880 [0,0,0,1,0,1|2,0,0]=4 88 B9R1.34 CC1CC(=O)CC(C)N1 32785 [1,0,0,0,0,1|0,0,1]=3 89 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [1,0,0,0,0,1|0,0,1]=3 90 B9R1.34 NC1CC(=O)NC(=O)C1 P17113 [1,0,0,0,0,1|1,0,0]=3 91 B9R1.34 O=C1CC(=O)OC(=O)C1 C71213 [1,0,0,0,0,1|1,0,1]=4