0 B14R1.1004 CC(C(=O)N1CSCC1C(=O)O)CC 1P01AAF1 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.1004 CC(C(=O)N1CSC[C@H]1C(=O)O)CC 1P01EKOY [0,0,0,0,0,0|2,0,0]=2 2 B14R1.1004 SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C 1P003P5P [0,0,0,0,0,0|0,0,0]=0 3 B13R1.350 OC(=O)C1CCCN1C(=O)C(C)C 1P00I50X [1,0,0,0,0,0|0,0,0]=1 4 B13R1.350 OC(=O)[C@@H]1CCCN1C(=O)C(=C)C 1P00DDZE [1,0,0,0,0,0|0,0,2]=3 5 B13R1.350 OC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C 1P003CZA [1,0,0,0,0,0|1,0,0]=2 6 B13R1.350 OC(=O)[C@H]1CCCN1C(=O)C(=C)C 1P007W75 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.467 CCCC(=O)N1CCCC1C(=O)O 1P019WVN [1,0,0,0,0,0|1,0,0]=2 8 B13R1.467 CCCC(=O)N1CSCC1C(=O)O 1P01AACR [1,0,0,0,0,0|2,0,0]=3 9 B13R1.467 CCNC(=O)N1CSCC1C(=O)O 1P019PLF [1,0,0,0,0,0|3,0,0]=4 10 B13R1.467 NCCC(=O)N1CCC[C@@H]1C(=O)O 1P0284D3 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.467 NCCC(=O)N1CCC[C@H]1C(=O)O 1P028C3A [1,0,0,0,0,0|1,0,0]=2 12 B15R1.996 SC[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N 1P028WZM [0,1,0,0,0,0|1,0,0]=2 13 B15R1.3957 CC(=CCC)C(=O)N1CSCC1C(=O)O 1P01DUS8 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.8872 CC([C@@H](C(=O)N1CCC[C@H]1C(=O)O)N)C 1P008S25 [0,1,0,0,0,0|2,0,0]=3 15 B15R1.8872 CC([C@@H](C(=O)N1CCC[C@H]1C(=O)O)N)C 1P027ZNG [0,1,0,0,0,0|2,0,0]=3 16 B15R2.69584 OC(=O)C1CSCN1C(=O)C2CCC2 1P01AAOC [0,0,0,1,0,0|2,0,0]=3 17 B15R1.1339 CCC(C(=O)N1CCCC(C1)C(=O)O)C 1P01A9H8 [0,0,0,0,0,1|1,0,0]=2 18 B12R0.42 OC(=O)CCCCCC(=O)[C@@H](N)C 1P00I06F [1,0,1,0,0,0|2,0,0]=4 19 B12R0.42 OC(=O)CCCCNC(=O)C(N)C 1P028U6B [1,0,1,0,0,0|1,0,0]=3 20 B12R0.19 CSC[C@@H](C(=O)O)NC(=O)CCN 1P028H0Q [1,0,1,0,0,0|2,0,0]=4 21 B12R0.84 OC[C@@H](C(=O)O)NC(=O)[C@H](CS)N 1P0286EG [1,0,1,0,0,0|2,0,0]=4 22 B12R0.400 CCC[C@@H](C(=O)O)NC(=O)[C@@H](N)C 1P002N53 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.368 C#CC(=O)N1CCC[C@@H]1C(=O)O 1P028XQ8 [2,0,0,0,0,0|0,0,2]=4 24 B12R1.368 C#CC(=O)N1CCC[C@H]1C(=O)O 1P027W76 [2,0,0,0,0,0|0,0,2]=4 25 B12R1.368 C=CC(=O)N1CCCC1C(=O)O 1P028A2M [2,0,0,0,0,0|0,0,2]=4 26 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O 1P00J36T [2,0,0,0,0,0|0,0,0]=2 27 B12R1.368 CCC(=O)N1CSCC1C(=O)O 1P01AATG [2,0,0,0,0,0|1,0,0]=3 28 B12R1.368 CNC(=O)N1CCC[C@@H]1C(=O)[O-] 1P01A11P [2,0,0,0,0,0|1,0,1]=4 29 B12R1.368 CNC(=O)N1CCC[C@H]1C(=O)[O-] 1P01A1FI [2,0,0,0,0,0|1,0,1]=4 30 B12R1.368 COC(=O)C1CCCC1C(=O)O 1P01A5L9 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.368 COC(=O)N1CCCC1C(=O)O 1P007MWJ [2,0,0,0,0,0|1,0,0]=3 32 B12R1.368 COC(=O)[C@@H]1CCC[C@H]1C(=O)O 1P008XCC [2,0,0,0,0,0|2,0,0]=4 33 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O 1P006HKD [2,0,0,0,0,0|2,0,0]=4 34 B12R1.368 ClCC(=O)N1CCCC1C(=O)O 1P00BJFO [2,0,0,0,0,0|1,0,0]=3 35 B12R1.368 ClCC(=O)N1CCC[C@H]1C(=O)N 1P00BGO0 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O 1P003R9M [2,0,0,0,0,0|1,0,0]=3 37 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O 1P027ST4 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.392 CC(CN1CCCC1C(=O)O)C 1P00HATF [2,0,0,0,0,0|0,0,1]=3 39 B14R1.750 COC(=O)[C@@H]1CCCN1C(=O)N(C)C 1P01ENRV [1,1,0,0,0,0|1,0,0]=3 40 B14R1.6441 OC(=O)[C@@H]1CCCN1S(=O)(=N)N(C)C 1P027ZFC [1,1,0,0,0,0|2,0,0]=4 41 B14R1.6442 O=C(C(C)(C)C)N1CSCC1C(=O)O 1P01AAO0 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.6442 OC(=O)C1CCCN1C(=O)C(C)(C)C 1P019LS6 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.6442 OC(=O)C1CCCN1C(=O)C(F)(F)F 1P01ACZK [1,1,0,0,0,0|2,0,0]=4 44 B14R1.631 CCOC(=O)N1CCC[C@@H]1C(=O)OC 1P0077Z8 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.631 CCOC(=O)N1CCC[C@H]1C(=O)OC 1P003RZW [1,1,0,0,0,0|2,0,0]=4 46 B14R1.942 CCCCC(=O)N1CSCC1C(=O)O 1P01AALR [1,1,0,0,0,0|2,0,0]=4 47 B14R1.942 CSCCC(=O)N1CCCC1C(=O)O 1P028M6E [1,1,0,0,0,0|0,0,0]=2 48 B14R1.3191 CCCS(=O)(=O)N1CCCC1C(=O)O 1P019PET [1,1,0,0,0,0|2,0,0]=4 49 B14R1.4280 CC(OC(=O)N1CCCC1C(=O)O)C 1P028R4S [1,1,0,0,0,0|2,0,0]=4 50 B16R1.5434 CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)N)C 1P007A70 [0,1,0,0,0,1|1,0,0]=3 51 B16R1.5481 CCN(C(=O)N1CCCC(C1)C(=O)O)CC 1P019NAC [0,1,0,0,0,1|2,0,0]=4 52 B16R1.12346 CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N)C 1P003RTA [0,2,0,0,0,0|2,0,0]=4 53 B14R1.3595 COC1CCCCN(C1=O)CC(=O)O 1P01C4VM [0,0,1,1,0,0|2,0,0]=4 54 B14R2.2296 OC[C@@H]1NC(=O)[C@H]2N(C1=O)CCC2 1P01BSDP [1,0,0,1,0,0|1,1,0]=4 55 B14R2.9562 O=C(N1CSCC1C(=O)O)C2CC2 1P019PLG [1,0,0,1,0,0|1,0,0]=3 56 B14R2.9562 OC(=O)[C@@H]1CCCN1C(=O)C2CC2 1P00J9R1 [1,0,0,1,0,0|0,0,0]=2 57 B14R2.21029 O=C1CCCC2(N1CCC2)C(=O)O 1P018JBU [1,0,0,1,0,0|1,0,0]=3 58 B16R2.144682 OC(=O)C1CCCN(C1)C(=O)C2CCC2 1P00GW7V [0,0,0,1,0,1|1,0,0]=3 59 B16R2.25041 CC1CC1C(=O)N2CCCCC2C(=O)O 1P01AH3O [0,0,0,1,0,1|1,0,0]=3 60 B16R2.508 OC(=O)C1CCCN1C(=O)C2CCCC2 1P00HWP2 [0,1,0,1,0,0|1,0,0]=3 61 B16R2.508 OC(=O)C1CSCN1C(=O)C2CCCC2 1P01AA1H [0,1,0,1,0,0|2,0,0]=4 62 B16R2.508 OC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2 1P00G4RA [0,1,0,1,0,0|1,0,0]=3 63 B16R2.508 OC(=O)[C@@H]1CSCN1C(=O)C2CCCC2 1P01DTRC [0,1,0,1,0,0|2,0,0]=4 64 B14R1.429 OC(=O)C1CCCCN1C(=O)C(C)C 1P00HC5Z [1,0,0,0,0,1|0,0,0]=2 65 B14R1.6420 NC(=O)C1CCCN(C1)C(=O)C(Cl)C 1P019L8T [1,0,0,0,0,1|2,0,0]=4 66 B14R1.6420 OC(=O)C1CCCN(C1)C(=O)C(C)C 1P00J9QZ [1,0,0,0,0,1|0,0,0]=2 67 B14R1.6420 OC(=O)C1CCCN(C1)C(=O)C(N)C 1P01EM2R [1,0,0,0,0,1|1,0,0]=3 68 B14R1.6420 OC(=O)C1CCCN(C1)C(=O)N(C)C 1P005WPJ [1,0,0,0,0,1|1,0,0]=3 69 B14R1.617 CCCC(=O)N1CCCC(C1)C(=O)O 1P00HA0V [1,0,0,0,0,1|1,0,0]=3 70 B14R1.617 CCOC(=O)N1CCCC(C1)C(=O)O 1P00IUCD [1,0,0,0,0,1|2,0,0]=4 71 B14R1.623 CCCC(=O)N1CCCCC1C(=O)O 1P00HC5F [1,0,0,0,0,1|1,0,0]=3 72 B16R1.874 CCC(NC(=O)C1CCCCC1C(=O)O)C 1P00HB38 [0,0,0,0,0,2|2,0,0]=4