0 B17R2.22759 CC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_200000210301 [0,0,0,0,0,0|1,0,0]=1 1 B17R2.22759 [13CH3]C(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_200025704644 [0,0,0,0,0,0|1,0,0]=1 2 B18R2.101471 CCC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_100000210202 [0,1,0,0,0,0|1,0,0]=2 3 B18R2.101471 CNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 240690a_100102657272_100000053471 [0,1,0,0,0,0|1,0,0]=2 4 B18R2.101471 CNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 527a_100102657272_100000053471 [0,1,0,0,0,0|1,0,0]=2 5 B18R2.101471 O=C(CF)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_100015361967 [0,1,0,0,0,0|1,0,0]=2 6 B16R1.6868 CC(=O)OCCCCSCC1CNC(=O)O1 62a_100000033659_100000181169 [0,0,1,0,0,0|3,0,0]=4 7 B16R1.6868 CC(=O)OCCCCSCC1CNC(=O)O1 62a_100000181169_100000033659 [0,0,1,0,0,0|3,0,0]=4 8 B16R1.6868 CC(=O)OCCCCSC[C@@H]1CCC(=O)N1 62a_100000033659_100015189358 [0,0,1,0,0,0|3,0,0]=4 9 B16R1.6868 CC(=O)OCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000033659 [0,0,1,0,0,0|3,0,0]=4 10 B16R1.6868 CC(=O)OCCCCSC[C@H]1COC(=O)N1 62a_100000033659_100015307671 [0,0,1,0,0,0|3,0,0]=4 11 B16R1.6868 CC(=O)OCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000033659 [0,0,1,0,0,0|3,0,0]=4 12 B16R1.6868 CC(=O)SCCCCSCC1CNC(=O)O1 62a_100000181169_200010402107 [0,0,1,0,0,0|3,0,0]=4 13 B16R1.6868 CC(=O)SCCCCSCC1CNC(=O)O1 62a_200010402107_100000181169 [0,0,1,0,0,0|3,0,0]=4 14 B16R1.6868 CC(=O)SCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_200010402107 [0,0,1,0,0,0|3,0,0]=4 15 B16R1.6868 CC(=O)SCCCCSC[C@@H]1CCC(=O)N1 62a_200010402107_100015189358 [0,0,1,0,0,0|3,0,0]=4 16 B16R1.6868 CC(=O)SCCCCSC[C@H]1COC(=O)N1 62a_100015307671_200010402107 [0,0,1,0,0,0|3,0,0]=4 17 B16R1.6868 CC(=O)SCCCCSC[C@H]1COC(=O)N1 62a_200010402107_100015307671 [0,0,1,0,0,0|3,0,0]=4 18 B16R1.6868 NC(=O)CCCCCNCC1CNC(=O)C1 2230a_100016993742_100009817443 [0,0,1,0,0,0|3,0,0]=4 19 B16R1.6868 NC(=O)CCCCCNCC1CNC(=O)C1 34a_100016993742_100009817443 [0,0,1,0,0,0|3,0,0]=4 20 B16R1.6868 NC(=O)CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100009817443 [0,0,1,0,0,0|3,0,0]=4 21 B16R1.6868 NC(=O)CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100009817443 [0,0,1,0,0,0|3,0,0]=4 22 B16R1.6868 NC(=O)CCCCCOCC1CCC(=O)N1 34a_100000737831_100009817443 [0,0,1,0,0,0|2,1,0]=4 23 B16R1.6868 NC(=O)CCCCCOCC1CNC(=O)C1 34a_100016041077_100009817443 [0,0,1,0,0,0|2,1,0]=4 24 B16R1.6868 NC(=O)CCCCCOCC1CNC(=O)O1 34a_100000123541_100000181169 [0,0,1,0,0,0|2,1,0]=4 25 B16R1.6868 NC(=O)CCCCCOCC1CNC(=O)O1 34a_100011315639_100009817443 [0,0,1,0,0,0|2,1,0]=4 26 B16R1.6868 NC(=O)CCCCCOCC1CNC(=O)O1 7a_100000123541_100000181169 [0,0,1,0,0,0|2,1,0]=4 27 B16R1.6868 NC(=O)CCCCCOC[C@@H]1CCC(=O)N1 7a_100000123541_100015189358 [0,0,1,0,0,0|2,1,0]=4 28 B16R1.6868 NC(=O)CCCCCOC[C@H]1COC(=O)N1 34a_100000123541_100015307671 [0,0,1,0,0,0|2,1,0]=4 29 B16R1.6868 NC(=O)CCCCCOC[C@H]1COC(=O)N1 7a_100000123541_100015307671 [0,0,1,0,0,0|2,1,0]=4 30 B16R1.6868 NC(=O)CCCCCSCC1CNC(=O)O1 62a_100000181169_100009817443 [0,0,1,0,0,0|2,0,0]=3 31 B16R1.6868 NC(=O)CCCCCSCC1CNC(=O)O1 62a_100009817443_100000181169 [0,0,1,0,0,0|2,0,0]=3 32 B16R1.6868 NC(=O)CCCCCSCC1COC(=O)O1 62a_100000073702_100009817443 [0,0,1,0,0,0|3,0,0]=4 33 B16R1.6868 NC(=O)CCCCCSCC1COC(=O)O1 62a_100009817443_100000073702 [0,0,1,0,0,0|3,0,0]=4 34 B16R1.6868 NC(=O)CCCCCSC[C@@H]1CCC(=O)N1 62a_100009817443_100015189358 [0,0,1,0,0,0|2,0,0]=3 35 B16R1.6868 NC(=O)CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100009817443 [0,0,1,0,0,0|2,0,0]=3 36 B16R1.6868 NC(=O)CCCCCSC[C@H]1COC(=O)N1 62a_100009817443_100015307671 [0,0,1,0,0,0|2,0,0]=3 37 B16R1.6868 NC(=O)CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100009817443 [0,0,1,0,0,0|2,0,0]=3 38 B16R1.6868 NC(=O)CCCCCSCc1n[nH]c(=O)[nH]1 62a_100009817443_100000754189 [0,0,1,0,0,0|2,0,1]=4 39 B16R1.6868 O=C([O-])CCCCCOCC1CNC(=O)O1 7a_100102619762_100000181169 [0,0,1,0,0,0|1,1,1]=4 40 B16R1.6868 O=C([O-])CCCCCOC[C@@H]1CCC(=O)N1 7a_100102619762_100015189358 [0,0,1,0,0,0|1,1,1]=4 41 B16R1.6868 O=C([O-])CCCCCOC[C@H]1COC(=O)N1 7a_100102619762_100015307671 [0,0,1,0,0,0|1,1,1]=4 42 B16R1.6868 O=C1CC[C@H](N1)CSCCCCCB(O)O 62a_100015189358_200009817188 [0,0,1,0,0,0|2,0,1]=4 43 B16R1.6868 O=C1CC[C@H](N1)CSCCCCCB(O)O 62a_200009817188_100015189358 [0,0,1,0,0,0|2,0,1]=4 44 B16R1.6868 O=C1NCC(O1)CSCCCCCB(O)O 62a_100000181169_200009817188 [0,0,1,0,0,0|2,0,1]=4 45 B16R1.6868 O=C1NCC(O1)CSCCCCCB(O)O 62a_200009817188_100000181169 [0,0,1,0,0,0|2,0,1]=4 46 B16R1.6868 O=C1N[C@H](CO1)CSCCCCCB(O)O 62a_100015307671_200009817188 [0,0,1,0,0,0|2,0,1]=4 47 B16R1.6868 O=C1N[C@H](CO1)CSCCCCCB(O)O 62a_200009817188_100015307671 [0,0,1,0,0,0|2,0,1]=4 48 B15R1.22765 CC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C 1458a_100000093966_200000210301 [1,0,1,0,0,0|1,0,0]=3 49 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[13CH3] 1458a_100000093966_200025704644 [1,0,1,0,0,0|1,0,0]=3 50 B15R1.34 C=CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000700193 [1,0,1,0,0,0|2,0,0]=4 51 B15R1.34 C=CCCCCCSCC1CNC(=O)O1 62a_100000700193_100000181169 [1,0,1,0,0,0|2,0,0]=4 52 B15R1.34 C=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000700193_100015189358 [1,0,1,0,0,0|2,0,0]=4 53 B15R1.34 C=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000700193 [1,0,1,0,0,0|2,0,0]=4 54 B15R1.34 C=CCCCCCSC[C@H]1COC(=O)N1 62a_100000700193_100015307671 [1,0,1,0,0,0|2,0,0]=4 55 B15R1.34 C=CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000700193 [1,0,1,0,0,0|2,0,0]=4 56 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100000766143_100015189358 [1,0,1,0,0,0|1,0,1]=4 57 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100015189358_100000766143 [1,0,1,0,0,0|1,0,1]=4 58 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000181169_100000766143 [1,0,1,0,0,0|1,0,1]=4 59 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000766143_100000181169 [1,0,1,0,0,0|1,0,1]=4 60 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCO 62a_100000766143_100015307671 [1,0,1,0,0,0|1,0,1]=4 61 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCO 62a_100015307671_100000766143 [1,0,1,0,0,0|1,0,1]=4 62 B15R1.34 O=CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000139337 [1,0,1,0,0,0|2,0,0]=4 63 B15R1.34 O=CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000139337 [1,0,1,0,0,0|2,0,0]=4 64 B15R1.34 O=CCCCCCSCC1CNC(=O)O1 62a_100000139337_100000181169 [1,0,1,0,0,0|1,0,0]=3 65 B15R1.34 O=CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000139337 [1,0,1,0,0,0|1,0,0]=3 66 B15R1.34 O=CCCCCCSCC1COC(=O)O1 62a_100000073702_100000139337 [1,0,1,0,0,0|2,0,0]=4 67 B15R1.34 O=CCCCCCSCC1COC(=O)O1 62a_100000139337_100000073702 [1,0,1,0,0,0|2,0,0]=4 68 B15R1.34 O=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000139337_100015189358 [1,0,1,0,0,0|1,0,0]=3 69 B15R1.34 O=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000139337 [1,0,1,0,0,0|1,0,0]=3 70 B15R1.34 O=CCCCCCSC[C@H]1COC(=O)N1 62a_100000139337_100015307671 [1,0,1,0,0,0|1,0,0]=3 71 B15R1.34 O=CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000139337 [1,0,1,0,0,0|1,0,0]=3 72 B15R1.34 O=CCCCCCSCc1n[nH]c(=O)[nH]1 62a_100000139337_100000754189 [1,0,1,0,0,0|1,0,1]=4 73 B17R1.1157 COC(=O)CCCCCNCC1CNC(=O)C1 2230a_100016993742_100009816466 [0,1,1,0,0,0|2,0,0]=4 74 B17R1.1157 COC(=O)CCCCCNCC1CNC(=O)C1 34a_100016993742_100009816466 [0,1,1,0,0,0|2,0,0]=4 75 B17R1.1157 COC(=O)CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100009816466 [0,1,1,0,0,0|2,0,0]=4 76 B17R1.1157 COC(=O)CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100009816466 [0,1,1,0,0,0|2,0,0]=4 77 B17R1.1157 COC(=O)CCCCCOCC1CCC(=O)N1 34a_100000737831_100009816466 [0,1,1,0,0,0|1,1,0]=4 78 B17R1.1157 COC(=O)CCCCCOCC1CNC(=O)C1 34a_100016041077_100009816466 [0,1,1,0,0,0|1,1,0]=4 79 B17R1.1157 COC(=O)CCCCCOCC1CNC(=O)O1 34a_100000074720_100000181169 [0,1,1,0,0,0|1,1,0]=4 80 B17R1.1157 COC(=O)CCCCCOCC1CNC(=O)O1 34a_100011315639_100009816466 [0,1,1,0,0,0|1,1,0]=4 81 B17R1.1157 COC(=O)CCCCCOCC1CNC(=O)O1 7a_100000074720_100000181169 [0,1,1,0,0,0|1,1,0]=4 82 B17R1.1157 COC(=O)CCCCCOC[C@@H]1CCC(=O)N1 7a_100000074720_100015189358 [0,1,1,0,0,0|1,1,0]=4 83 B17R1.1157 COC(=O)CCCCCOC[C@H]1COC(=O)N1 34a_100000074720_100015307671 [0,1,1,0,0,0|1,1,0]=4 84 B17R1.1157 COC(=O)CCCCCOC[C@H]1COC(=O)N1 7a_100000074720_100015307671 [0,1,1,0,0,0|1,1,0]=4 85 B17R1.1157 COC(=O)CCCCCSCC1CNC(=O)O1 62a_100000181169_100009816466 [0,1,1,0,0,0|1,0,0]=3 86 B17R1.1157 COC(=O)CCCCCSCC1CNC(=O)O1 62a_100009816466_100000181169 [0,1,1,0,0,0|1,0,0]=3 87 B17R1.1157 COC(=O)CCCCCSCC1COC(=O)O1 62a_100000073702_100009816466 [0,1,1,0,0,0|2,0,0]=4 88 B17R1.1157 COC(=O)CCCCCSCC1COC(=O)O1 62a_100009816466_100000073702 [0,1,1,0,0,0|2,0,0]=4 89 B17R1.1157 COC(=O)CCCCCSC[C@@H]1CCC(=O)N1 62a_100009816466_100015189358 [0,1,1,0,0,0|1,0,0]=3 90 B17R1.1157 COC(=O)CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100009816466 [0,1,1,0,0,0|1,0,0]=3 91 B17R1.1157 COC(=O)CCCCCSC[C@H]1COC(=O)N1 62a_100009816466_100015307671 [0,1,1,0,0,0|1,0,0]=3 92 B17R1.1157 COC(=O)CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100009816466 [0,1,1,0,0,0|1,0,0]=3 93 B17R1.1157 COC(=O)CCCCCSCc1n[nH]c(=O)[nH]1 62a_100009816466_100000754189 [0,1,1,0,0,0|1,0,1]=4 94 B17R2.73780 COCCCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 34a_100135475280_200000210301 [1,1,0,0,0,0|0,0,1]=3 95 B17R2.73780 COCCCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 7a_100135475280_200000210301 [1,1,0,0,0,0|0,0,1]=3 96 B17R2.73780 [13CH3]OCCCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 34a_100135475280_200025704644 [1,1,0,0,0,0|0,0,1]=3 97 B17R2.73780 [13CH3]OCCCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 7a_100135475280_200025704644 [1,1,0,0,0,0|0,0,1]=3 98 B19R2.130285 C#CCC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_100000184674 [0,2,0,0,0,0|1,0,0]=3 99 B19R2.130285 C=CCC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_100000210623 [0,2,0,0,0,0|1,0,0]=3 100 B19R2.130285 CCCC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_100000210303 [0,2,0,0,0,0|1,0,0]=3 101 B19R2.130285 CCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 240690a_100015525214_100000053471 [0,2,0,0,0,0|1,0,0]=3 102 B19R2.130285 CCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 527a_100015525214_100000053471 [0,2,0,0,0,0|1,0,0]=3 103 B19R2.130285 CNNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 22a_100016993582_100000053471 [0,2,0,0,0,0|1,0,0]=3 104 B19R2.130285 N#CCC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_100011214920 [0,2,0,0,0,0|1,0,0]=3 105 B19R2.130285 O=C(CCF)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_100011217306 [0,2,0,0,0,0|1,0,0]=3 106 B19R2.130285 O=C(CCO)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2 1458a_100000053471_100000211926 [0,2,0,0,0,0|0,0,0]=2 107 B15R0.247 CNC(=O)CCCSCCCCCC(=O)N 62a_100000741757_100009817443 [0,0,2,0,0,0|2,0,0]=4 108 B15R0.247 CNC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100000741757 [0,0,2,0,0,0|2,0,0]=4 109 B15R0.247 CNC(=O)NCCNCCCCCC(=O)N 34a_100015205895_100009817443 [0,0,2,0,0,0|2,0,0]=4 110 B15R0.247 CNC(=O)OCCSCCCCCC(=O)N 62a_100009817443_200011997002 [0,0,2,0,0,0|2,0,0]=4 111 B15R0.247 CNC(=O)OCCSCCCCCC(=O)N 62a_200011997002_100009817443 [0,0,2,0,0,0|2,0,0]=4 112 B17R2.3266 O=C1CC[C@H](N1)CN2CCCC[C@@H]2C(=O)O 269956a_100000763471_100015189358 [0,0,1,1,0,0|2,0,0]=4 113 B17R2.3266 O=C1NCC(O1)CN2CCCC[C@@H]2C(=O)O 269956a_100000763471_100000181169 [0,0,1,1,0,0|2,0,0]=4 114 B17R2.3266 O=C1N[C@H](CO1)CN2CCCC[C@@H]2C(=O)O 269956a_100000763471_100015307671 [0,0,1,1,0,0|2,0,0]=4 115 B15R1.110 CC(=O)CCCCSCC1CNC(=O)O1 62a_100000181169_100000735457 [0,0,1,0,1,0|2,0,0]=4 116 B15R1.110 CC(=O)CCCCSCC1CNC(=O)O1 62a_100000735457_100000181169 [0,0,1,0,1,0|2,0,0]=4 117 B15R1.110 CC(=O)CCCCSC[C@@H]1CCC(=O)N1 62a_100000735457_100015189358 [0,0,1,0,1,0|2,0,0]=4 118 B15R1.110 CC(=O)CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000735457 [0,0,1,0,1,0|2,0,0]=4 119 B15R1.110 CC(=O)CCCCSC[C@H]1COC(=O)N1 62a_100000735457_100015307671 [0,0,1,0,1,0|2,0,0]=4 120 B15R1.110 CC(=O)CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000735457 [0,0,1,0,1,0|2,0,0]=4 121 B15R1.6753 NC(=O)CCCCCSCC1CC(=O)C1 62a_100009817443_100009874392 [0,0,1,0,1,0|2,0,0]=4 122 B15R1.6753 NC(=O)CCCCCSCC1CC(=O)C1 62a_100009874392_100009817443 [0,0,1,0,1,0|2,0,0]=4 123 B17R1.8221 CC(=O)OCCCCCSCC1CNC(=O)O1 62a_100000033007_100000181169 [0,0,1,0,0,1|2,0,0]=4 124 B17R1.8221 CC(=O)OCCCCCSCC1CNC(=O)O1 62a_100000181169_100000033007 [0,0,1,0,0,1|2,0,0]=4 125 B17R1.8221 CC(=O)OCCCCCSC[C@@H]1CCC(=O)N1 62a_100000033007_100015189358 [0,0,1,0,0,1|2,0,0]=4 126 B17R1.8221 CC(=O)OCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000033007 [0,0,1,0,0,1|2,0,0]=4 127 B17R1.8221 CC(=O)OCCCCCSC[C@H]1COC(=O)N1 62a_100000033007_100015307671 [0,0,1,0,0,1|2,0,0]=4 128 B17R1.8221 CC(=O)OCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000033007 [0,0,1,0,0,1|2,0,0]=4