0 B12R1.480 CCC(N1CCCC1=O)C(=O)N 1P00BZXE [0,0,0,0,0,0|0,0,0]=0 1 B12R1.480 CCC(N1CCCC1=O)C(=O)O 1P006MBL [0,0,0,0,0,0|1,0,0]=1 2 B12R1.480 CC[C@H](N1CCCC1=O)C(=O)N 1P0008SF [0,0,0,0,0,0|0,0,0]=0 3 B12R1.480 CC[C@H](N1CCCC1=O)C(=O)O 1P003C5F [0,0,0,0,0,0|1,0,0]=1 4 B11R1.89 OC(=O)C(N1CCNC1=O)C 1P01BCVI [1,0,0,0,0,0|2,0,0]=3 5 B11R1.89 OC(=O)C(N1CCOC1=O)C 1P028T0J [1,0,0,0,0,0|2,0,0]=3 6 B11R1.89 OC(=O)[C@@H](N1CCCC1=O)C 1P003D0Y [1,0,0,0,0,0|1,0,0]=2 7 B11R1.298 CCC(C(=O)O)N1CCCC1 1P00J2A9 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.1725 COC(C1CCCC1=O)C(=O)OC 1P028O85 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.3753 CC(C(N1CCCC1=O)C(=O)O)C 1P01A8ID [0,1,0,0,0,0|1,0,0]=2 10 B13R1.6336 CCC(N1C(=O)CCC1=O)C(=O)O 1P028NWB [0,1,0,0,0,0|1,0,1]=3 11 B11R0.296 CCC(C(C(=O)O)CC)C(=O)O 1P008SUS [0,0,1,0,0,0|3,0,0]=4 12 B13R2.181 O=C1CCCC1C2CCCC2=O 1P01FUUU [0,0,0,1,0,0|2,0,0]=3 13 B13R2.3148 O=C1NCCN1C2(CC2)C(=O)O 1P02011T [0,0,0,1,0,0|2,0,0]=3 14 B13R2.3148 O=C1OCCN1C2(CC2)C(=O)O 1P028ZCI [0,0,0,1,0,0|2,0,0]=3 15 B13R2.3328 OC(=O)[C@@H]1OC[C@H]2C[C@@H]1C(=O)C2 1P028ZN2 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.3749 OC(=O)C1CCC2N1C(=O)CC2 1P009QLA [0,0,0,1,0,0|1,0,0]=2 17 B13R2.5569 OC(=O)C1CCCC2N1CCC2 1P01C3DH [0,0,0,1,0,0|2,0,1]=4 18 B10R0.94 CCN(C(C(=O)O)CC)CC 1P01AJOH [1,0,1,0,0,0|1,0,1]=4 19 B10R0.26 CC(C(=O)O)NC(=O)CCC 1P00EDC5 [1,0,1,0,0,0|1,0,0]=3 20 B10R0.26 CC(C(=O)O)NC(=O)COC 1P00CHBB [1,0,1,0,0,0|2,0,0]=4 21 B10R0.53 CCC(C(=O)O)NC(=O)CN 1P003TIA [1,0,1,0,0,0|2,0,0]=4 22 B10R0.53 CC[C@H](C(=O)O)NC(=O)OC 1P028MJX [1,0,1,0,0,0|2,0,0]=4 23 B10R1.23 CC(C(=O)O)N1CCCC1 1P000LOI [2,0,0,0,0,0|1,0,1]=4 24 B10R1.23 CC(C(=O)O)N1CCCC1 1P009AMF [2,0,0,0,0,0|1,0,1]=4 25 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 1P00GJ18 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.23 C[C@H](C(=O)O)N1CCCC1 1P009WCL [2,0,0,0,0,0|1,0,1]=4 27 B10R1.23 OC(=O)C(C1=CCCC1)C 1P01A1MK [2,0,0,0,0,0|2,0,0]=4 28 B10R1.64 CC(=O)CC1CCCC1=O 1P01HQIN [2,0,0,0,0,0|2,0,0]=4 29 B10R1.64 CC(CN1CCCC1=O)N 1P00D69W [2,0,0,0,0,0|1,0,1]=4 30 B10R1.64 CC(CN1CCCC1=O)N 1P019WH8 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.64 NC(=O)CN1CCCC1=O 1P00ID1B [2,0,0,0,0,0|0,0,0]=2 32 B10R1.64 NC(=S)CN1CCOC1=O 1P007WBL [2,0,0,0,0,0|1,1,0]=4 33 B10R1.64 OC(=O)CC1CCCC1=O 1P001E2F [2,0,0,0,0,0|2,0,0]=4 34 B10R1.64 OC(=O)CN1CCCC1=N 1P01BB8L [2,0,0,0,0,0|2,0,0]=4 35 B10R1.64 OC(=O)CN1CCCC1=O 1P00DBYX [2,0,0,0,0,0|1,0,0]=3 36 B10R1.64 OC(=O)CN1CCNC1=O 1P008FEE [2,0,0,0,0,0|2,0,0]=4 37 B10R1.64 OC(=O)CN1CCOC1=O 1P00571M [2,0,0,0,0,0|2,0,0]=4 38 B10R1.64 OC(=O)CN1CCSC1=O 1P00G9IS [2,0,0,0,0,0|2,0,0]=4 39 B10R1.64 OC(=O)CN1CSCC1=O 1P008SRY [2,0,0,0,0,0|2,0,0]=4 40 B10R1.149 *CC(N1CCCC1=O)* 1P00IKWL [2,0,0,0,0,0|2,0,0]=4 41 B10R1.149 ClCC(=O)N1CCCC1=O 1P00DBSK [2,0,0,0,0,0|1,0,1]=4 42 B10R1.149 NCC(N1CCOC1=O)C 1P028UIU [2,0,0,0,0,0|1,0,1]=4 43 B10R1.9 CCC(N1CCCC1)CN 1P019MYF [2,0,0,0,0,0|0,0,2]=4 44 B12R0.19 CSC[C@@H](C(=O)O)NC(=O)CCN 1P028H0Q [0,1,1,0,0,0|2,0,0]=4 45 B12R0.67 CCOC(=O)NC(C(=O)O)C(C)C 1P0082RG [0,1,1,0,0,0|2,0,0]=4 46 B12R0.67 COCC(=O)N[C@H](C(=O)O)C(C)C 1P01AKVQ [0,1,1,0,0,0|2,0,0]=4 47 B12R0.93 ClCCCC(=O)N[C@H](C(=O)N)CC 1P0008SE [0,1,1,0,0,0|0,0,0]=2 48 B12R1.897 OC(=O)C(N1C(=O)CCC1=O)C 1P019LVC [1,1,0,0,0,0|1,0,1]=4 49 B12R1.1002 O=C1OCCN1C(C(=O)O)(C)C 1P019TKQ [1,1,0,0,0,0|2,0,0]=4 50 B12R1.134 NCCC(N1CCCC1=O)CC 1P01AA3T [1,1,0,0,0,0|0,0,1]=3 51 B12R1.1395 CC(C(C(=O)O)N1CCCC1)C 1P019X4R [1,1,0,0,0,0|1,0,1]=4 52 B12R1.1395 CC([C@@H](C(=O)O)N1CCCC1)C 1P00IDCI [1,1,0,0,0,0|1,0,1]=4 53 B14R1.323 CC([C@H](N1CCCNC1=O)C(=O)O)C 1P002GQ8 [0,1,0,0,0,1|1,0,0]=3 54 B14R1.6451 CC(C(N1CCCS1(=O)=O)C(=O)O)C 1P01A1YV [0,2,0,0,0,0|2,0,0]=4 55 B14R1.4874 OC(=O)C(C(C)(C)C)N1CCCC1=O 1P028YQL [0,2,0,0,0,0|1,0,0]=3 56 B14R1.4874 OC(=O)C(C(C)(C)C)N1CCNC1=O 1P0288IN [0,2,0,0,0,0|2,0,0]=4 57 B14R1.4874 OC(=O)C(C(C)(C)C)N1CCOC1=O 1P028Y8L [0,2,0,0,0,0|2,0,0]=4 58 B12R1.489 CCCN1C(=O)CCC1C(=O)O 1P028O6S [0,0,1,1,0,0|1,0,0]=3 59 B12R1.318 CCCC(=O)NC1CCOC1=O 1P01FLJH [0,0,1,1,0,0|1,0,0]=3 60 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O 1P005MGW [0,0,1,1,0,0|1,0,0]=3 61 B12R1.318 CCCC(=O)N[C@H]1CCSC1=O 1P0073NB [0,0,1,1,0,0|1,0,0]=3 62 B12R1.318 CCCC(=S)NC1CCOC1=O 1P0290TX [0,0,1,1,0,0|1,1,0]=4 63 B12R1.450 OC[C@@H]1NC(=O)[C@@H](NC1=O)CO 1P002NL8 [0,0,1,1,0,0|2,0,0]=4 64 B12R1.1584 CC=CC(=O)N1CCC1C(=O)N 1P028HCD [0,0,1,1,0,0|0,0,2]=4 65 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)O 1P00J36T [0,0,1,1,0,0|1,0,0]=3 66 B12R1.368 CCC(=O)N1CSCC1C(=O)O 1P01AATG [0,0,1,1,0,0|2,0,0]=4 67 B12R1.368 CNC(=O)N1CCC[C@@H]1C(=O)[O-] 1P01A11P [0,0,1,1,0,0|2,0,0]=4 68 B12R1.368 CNC(=O)N1CCC[C@H]1C(=O)[O-] 1P01A1FI [0,0,1,1,0,0|2,0,0]=4 69 B12R1.368 COC(=O)N1CCCC1C(=O)O 1P007MWJ [0,0,1,1,0,0|2,0,0]=4 70 B12R1.368 ClCC(=O)N1CCCC1C(=O)O 1P00BJFO [0,0,1,1,0,0|2,0,0]=4 71 B12R1.368 ClCC(=O)N1CCC[C@H]1C(=O)N 1P00BGO0 [0,0,1,1,0,0|1,0,0]=3 72 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O 1P003R9M [0,0,1,1,0,0|2,0,0]=4 73 B12R1.368 NCC(=O)N1CCC[C@H]1C(=O)O 1P027ST4 [0,0,1,1,0,0|2,0,0]=4 74 B12R1.87 CCC1N(CCNC1=O)C(=S)N 1P01AK04 [0,0,1,1,0,0|1,1,0]=4 75 B12R1.261 CC(=O)N1CCCCC1C(=O)O 1P00C9G1 [0,0,1,1,0,0|1,0,0]=3 76 B12R1.261 CC(=O)N1CCCCC1C(=S)N 1P028BZU [0,0,1,1,0,0|0,1,0]=3 77 B12R1.261 CC(=O)N1CCCCN1C(=O)C 1P01SRVR [0,0,1,1,0,0|2,0,0]=4 78 B12R1.261 CC(=O)N1CCNCC1C(=O)O 1P028FIK [0,0,1,1,0,0|2,0,0]=4 79 B12R1.261 CC(=O)N1CCOCC1C(=O)O 1P01A2OB [0,0,1,1,0,0|2,0,0]=4 80 B12R1.261 CC(=O)N1CCSCC1C(=O)N 1P01EM1Q [0,0,1,1,0,0|1,0,0]=3 81 B12R1.261 NC(=S)C1CSCCN1C(=O)C 1P01EBKZ [0,0,1,1,0,0|1,1,0]=4 82 B12R1.261 OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N 1P01A1WB [0,0,1,1,0,0|2,0,0]=4 83 B12R1.261 OC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1P01JJ12 [0,0,1,1,0,0|2,0,0]=4 84 B12R1.261 OC(=O)[C@H]1CCCC[C@@H]1C(=O)N 1P01DNPZ [0,0,1,1,0,0|2,0,0]=4 85 B12R2.1145 OC(=O)C1C[C@@H]2C[C@H]1C(=O)C2 1P01C318 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.1145 OC(=O)[C@@H]1C[C@H]2C[C@@H]1C(=O)C2 1P028AS1 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.10 O=C1CCCN1C2CNCC2 1P01A3BM [1,0,0,1,0,0|0,0,1]=3 88 B12R2.10 O=C1OCCN1C2CNCC2 1P01B5FD [1,0,0,1,0,0|1,0,1]=4 89 B12R2.256 OC(=O)C1(CC1)N2CCCC2 1P01B911 [1,0,0,1,0,0|1,0,1]=4 90 B14R2.24358 OC(=O)C1CCC2N(C1)C(=O)CC2 1P01E6MX [0,0,0,1,0,1|1,0,0]=3 91 B14R2.24358 OC(=O)[C@H]1CC[C@H]2N(C1)C(=O)CC2 1P00HZ6G [0,0,0,1,0,1|1,0,0]=3 92 B14R2.4630 O=C1CCCCN1C2(CC2)C(=O)O 1P028SGC [0,0,0,1,0,1|1,0,0]=3 93 B14R2.4630 O=C1COCCN1C2(CC2)C(=O)O 1P028XMJ [0,0,0,1,0,1|1,0,0]=3 94 B14R2.8543 OC(=O)C1CSC2(N1C(=O)CC2)C 1P00JAMO [0,1,0,1,0,0|2,0,0]=4 95 B14R2.8543 OC(=O)[C@@H]1CS[C@@]2(N1C(=O)CC2)C 1P02872E [0,1,0,1,0,0|2,0,0]=4 96 B12R1.124 OC(=O)C(N1CCCCC1=O)C 1P019X3L [1,0,0,0,0,1|1,0,0]=3 97 B12R1.144 OC(=O)CC(N1CCCC1=O)C 1P01C5D9 [1,0,0,0,0,1|1,0,0]=3