0 B8R0.7 NCCOCCC(=O)O C72750 [1,0,0,0,0,0|2,0,0]=3 1 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.93 COCC1CC(C(=O)O)C1 D79662 [0,0,0,1,0,0|1,0,0]=2 3 B10R1.113 CC1CNCC(C(=O)O)C1 D78840 [0,0,0,1,0,0|1,0,0]=2 4 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19966 [0,0,0,1,0,0|1,0,0]=2 5 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19967 [0,0,0,1,0,0|1,0,0]=2 6 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19965 [0,0,0,1,0,0|1,0,0]=2 7 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19968 [0,0,0,1,0,0|1,0,0]=2 8 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 C72340 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P19276 [0,0,0,1,0,0|1,0,0]=2 10 B10R1.300 CC1CNCCCC1(C)O 73166 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 C10522 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 P17191 [0,0,0,1,0,0|1,0,0]=2 15 B10R1.363 C[C@@]1(C(=O)O)CCCCO1 D76456 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.363 C[C@@]1(C(=O)O)CCCCO1 D79579 [0,0,0,1,0,0|1,0,0]=2 17 B9R0.2 NC(=O)CCCCCCO AC4329 [1,1,0,0,0,0|1,0,0]=3 18 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [1,1,0,0,0,0|0,0,0]=2 19 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [1,1,0,0,0,0|0,0,0]=2 20 B9R1.3 CN1CCC[C@H](N)C1=O Y10111 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.3 C[C@@H]1NCCN(C)C1=O F53781 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.5 CC1CNCCCC1O 73109 [1,0,0,1,0,0|1,0,1]=4 23 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.5 C[C@H]1CNCCCC1=O 73108 [1,0,0,1,0,0|1,0,0]=3 25 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.11 N[C@@H](CO)C1CCCC1 N11333 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [1,0,0,1,0,0|1,0,0]=3 29 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [1,0,0,1,0,0|1,0,0]=3 31 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [1,0,0,1,0,0|1,0,0]=3 34 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [1,0,0,1,0,0|1,0,0]=3 35 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [1,0,0,1,0,0|1,0,0]=3 41 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 P17325 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.95 N#CC1CC(C(=O)O)C1 86884 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 D77011 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3555 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.112 O=C(O)[C@@H](O)CC1CC1 69647 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT26814 [1,0,0,1,0,0|1,0,0]=3 51 B9R1.163 C[C@@]1(C(=O)O)CCCO1 P20957 [1,0,0,1,0,0|1,0,0]=3 52 B9R1.163 N[C@@]1(C(=O)O)CCOC1 C12093 [1,0,0,1,0,0|2,0,0]=4 53 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 Y11598 [0,0,0,1,0,1|1,0,0]=3 54 B11R1.89 C[C@@H](C(=O)O)N1CCCC1=O A11629 [0,1,0,1,0,0|1,0,1]=4 55 B11R1.266 O=C(O)C1CCCC(CO)C1 P19364 [0,1,0,1,0,0|0,0,0]=2 56 B11R1.706 O=C(O)[C@@H]1CCC=CCCC1 D77101 [0,1,0,1,0,0|0,0,1]=3 57 B11R1.220 C[C@]1(C(=O)O)CC[C@H](O)CC1 P19563 [0,1,0,1,0,0|0,0,0]=2 58 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C)C1 P16256 [0,1,0,1,0,0|1,0,0]=3 59 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 AC2343 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 P19718 [0,1,0,1,0,0|1,0,0]=3 61 B11R1.44 C#CC1CCC(C(=O)OC)C1 58316 [0,1,0,1,0,0|0,0,2]=4 62 B11R1.44 COC(=O)[C@H]1CC[C@@H](CO)C1 P16294 [0,1,0,1,0,0|1,0,0]=3 63 B11R1.298 CN[C@H](C(=O)O)C1CCCC1 C90263 [0,1,0,1,0,0|0,0,0]=2 64 B11R1.743 O=C(O)C1CC(OC(F)F)C1 89992 [0,1,0,1,0,0|2,0,0]=4 65 B11R2.141 O=C(O)C1CC12CCNC2 P11988 [0,0,0,2,0,0|1,0,0]=3 66 B11R2.141 O=C(O)C1CC12CCOC2 33426 [0,0,0,2,0,0|1,0,0]=3 67 B11R2.845 O=C(O)C1CC2CNC1C2 P18969 [0,0,0,2,0,0|1,0,0]=3 68 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CCN1C2 C12121 [0,0,0,2,0,0|1,0,0]=3 69 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 D86238 [0,0,0,2,0,0|1,0,0]=3 70 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 AT24389 [0,0,0,2,0,0|0,0,0]=2 71 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P12563 [0,0,0,2,0,0|1,0,0]=3 72 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P19062 [0,0,0,2,0,0|1,0,0]=3 73 B11R2.822 O=C(O)[C@H]1NC[C@@H]2CC[C@H]12 P18292 [0,0,0,2,0,0|1,0,0]=3 74 B11R2.822 O=C(O)[C@H]1NC[C@H]2CC[C@H]21 P18187 [0,0,0,2,0,0|1,0,0]=3 75 B11R2.1839 NC(=O)C12CCN(CC1)C2 W11427 [0,0,0,2,0,0|2,0,0]=4 76 B11R2.1839 O=C(O)C12CCC(CC1)C2 AT22106 [0,0,0,2,0,0|0,0,0]=2 77 B11R2.1839 O=C(O)C12CCC(CC1)O2 D96759 [0,0,0,2,0,0|1,0,0]=3 78 B11R2.1839 O=C(O)C12CC[C@@H](C1)NC2 P18994 [0,0,0,2,0,0|1,0,0]=3 79 B11R2.1839 O=C(O)C12CC[C@@H](C1)NC2 P18995 [0,0,0,2,0,0|1,0,0]=3 80 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 P14934 [0,0,0,2,0,0|1,0,0]=3 81 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 P15848 [0,0,0,2,0,0|1,0,0]=3 82 B11R2.12 O=C1NC[C@@]12CCCNC2 P18250 [0,0,0,2,0,0|2,0,0]=4 83 B11R2.1826 O=C(O)C12CC(CCN1)C2 P13673 [0,0,0,2,0,0|1,0,0]=3 84 B11R2.1826 O=C(O)C12CNCC(C1)C2 86847 [0,0,0,2,0,0|1,0,0]=3 85 B11R2.1837 O=C(O)C1NCCC2CC21 P18662 [0,0,0,2,0,0|1,0,0]=3 86 B11R2.1837 O=C(O)[C@H]1NCC[C@H]2C[C@@H]12 P18668 [0,0,0,2,0,0|1,0,0]=3 87 B11R2.698 CN1CC2(CNC2)OC1=O D96805 [0,0,0,2,0,0|2,0,0]=4 88 B11R2.813 O=C(O)C12CC1CCCN2 P18665 [0,0,0,2,0,0|1,0,0]=3 89 B11R2.813 O=C(O)C12CNCCC1C2 91950 [0,0,0,2,0,0|1,0,0]=3