0 B23R2.186150 CC(CCc1ccccc1)N[C@H](Cc2ccccc2)C(=O)O CSC056800511 [0,0,0,0,0,0|3,0,1]=4 1 B23R2.186150 NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 CSC000143050 [0,0,0,0,0,0|0,0,0]=0 2 B23R2.186150 OC(=O)C(Cc1ccccc1)NC(=O)CCc2ccccn2 CSC095605182 [0,0,0,0,0,0|3,0,0]=3 3 B23R2.186150 OC(=O)C(Cc1ccccc1)NC(=O)COc2ccccc2 CSC015200494 [0,0,0,0,0,0|3,0,0]=3 4 B23R2.186150 OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc2ccccc2 CSC027630558 [0,0,0,0,0,0|2,0,0]=2 5 B22R2.17679 CCC(Cc1ccccc1)NC(=O)CCc2ccccc2 CSC048396123 [1,0,0,0,0,0|2,0,1]=4 6 B24R2.136536 COC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 CSC015314632 [0,1,0,0,0,0|1,0,0]=2 7 B24R2.213397 CN(Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O CSC011427961 [0,1,0,0,0,0|2,0,0]=3 8 B24R2.213399 CN(C(Cc1ccccc1)C(=O)O)C(=O)CCc2ccccc2 CSC056853570 [0,1,0,0,0,0|2,0,0]=3 9 B24R2.213399 CN(C(Cc1ccccc1)C(=O)O)C(=O)CCc2ccccn2 CSC057257576 [0,1,0,0,0,0|3,0,0]=4 10 B24R2.470663 Cc1ccccc1CCC(=O)NC(Cc2ccccc2)C(=O)O CSC057009993 [0,1,0,0,0,0|2,0,0]=3 11 B24R2.470663 NC(=O)C(Cc1ccccc1)NC(=O)CCn2cnccc2=O CSC084252125 [0,1,0,0,0,0|3,0,0]=4 12 B24R2.470663 OC(=O)C(Cc1ccccc1)NC(=O)CCn2ccccc2=O CSC085427826 [0,1,0,0,0,0|3,0,0]=4 13 B24R2.470663 OC(=O)C(Cc1ccccc1)NC(=O)NCc2ccccc2F CSC094362978 [0,1,0,0,0,0|2,0,0]=3 14 B24R2.951715 Cc1ccc(cc1)OCC(=O)NC(Cc2ccccc2)C(=O)O CSC046210812 [0,1,0,0,0,0|3,0,0]=4 15 B24R2.951715 Cc1ccc(cc1)OCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC064163427 [0,1,0,0,0,0|3,0,0]=4 16 B24R2.951715 Cc1ccc(cc1)SCC(=O)NC(Cc2ccccc2)C(=O)O CSC093028242 [0,1,0,0,0,0|3,0,0]=4 17 B24R2.951715 OC(=O)C(Cc1ccccc1)NC(=O)COc2ccc(cc2)Br CSC046086302 [0,1,0,0,0,0|3,0,0]=4 18 B24R2.6642308 CC(CC(=O)NC(Cc1ccccc1)C(=O)O)c2ccccc2 CSC057510310 [0,1,0,0,0,0|2,0,0]=3 19 B24R2.6642308 CC(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)c2ccccc2 CSC057749515 [0,1,0,0,0,0|2,0,0]=3 20 B24R2.10982752 Cc1cccc(c1)CCC(=O)NC(Cc2ccccc2)C(=O)O CSC056937543 [0,1,0,0,0,0|2,0,0]=3 21 B24R2.10982752 Cc1cccc(c1)CCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057514874 [0,1,0,0,0,0|2,0,0]=3 22 B24R2.10982752 Cc1cccc(c1)CNC(=O)NC(Cc2ccccc2)C(=O)O CSC062819212 [0,1,0,0,0,0|2,0,0]=3 23 B24R2.10982752 Cc1cccc(c1)OCC(=O)NC(Cc2ccccc2)C(=O)O CSC020602878 [0,1,0,0,0,0|3,0,0]=4 24 B24R3.52823 O=C(CC1Oc2ccccc2NC1=O)NCc3ccccc3 CSC047982636 [0,0,0,1,0,0|3,0,0]=4 25 B22R2.149722 NC(=O)C(NC(=O)CCc1cnccn1)c2ccccc2 CSC095658392 [0,0,0,0,1,0|3,0,0]=4 26 B22R2.4115514 OC(=O)C(Cc1ccccc1)NC(=O)CCc2ccco2 CSC057740258 [0,0,0,0,1,0|3,0,0]=4 27 B22R2.4115514 OC(=O)C(Cc1ccccc1)NC(=O)CCc2cccs2 CSC056995653 [0,0,0,0,1,0|3,0,0]=4 28 B22R2.4115514 OC(=O)C(Cc1ccccc1)NC(=O)CCc2ccoc2 CSC056942576 [0,0,0,0,1,0|3,0,0]=4 29 B22R2.4115514 OC(=O)C(Cc1ccccc1)NC(=O)CCc2ccsc2 CSC056930089 [0,0,0,0,1,0|3,0,0]=4 30 B22R2.4115514 OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc2cccs2 CSC056880551 [0,0,0,0,1,0|3,0,0]=4 31 B22R2.4115514 OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc2ccsc2 CSC056989799 [0,0,0,0,1,0|3,0,0]=4 32 B24R2.6642311 OC(=O)C(Cc1ccccc1)NC(=O)CCCc2ccccc2 CSC057634734 [0,0,0,0,0,1|2,0,0]=3 33 B24R2.6642311 OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCc2ccccc2 CSC057591074 [0,0,0,0,0,1|2,0,0]=3 34 B23R2.173768 OC(=O)C(Cc1ccccc1)NC(=O)Nc2cccc(c2)Cl CSC046202077 [0,1,0,0,1,0|2,0,0]=4 35 B23R2.186149 OC(=O)C(Cc1ccccc1)NS(=O)(=O)Cc2ccccc2 CSC046141177 [0,1,0,0,1,0|2,0,0]=4 36 B23R2.269054 OC(=O)C(Cc1ccccc1)NC(=O)Cc2ccccc2Br CSC065685590 [0,1,0,0,1,0|1,0,0]=3 37 B23R2.269054 OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc2ccccc2Cl CSC096283913 [0,1,0,0,1,0|1,0,0]=3 38 B23R2.269054 OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn2ccccc2=O CSC064039682 [0,1,0,0,1,0|2,0,0]=4 39 B23R2.728924 NC(=O)C(Cc1ccc(cc1)Cl)NC(=O)Nc2cccnc2 CSC087238325 [0,1,0,0,1,0|2,0,0]=4 40 B23R2.730794 NC(=O)C(Cc1ccccc1)NC(=O)Cc2ccc(cc2)F CSC046988809 [0,1,0,0,1,0|0,0,0]=2 41 B23R2.730794 OC(=O)C(Cc1ccccc1)NC(=O)Cc2ccc(cc2)F CSC046167434 [0,1,0,0,1,0|1,0,0]=3 42 B23R2.730794 OC(=O)C(Cc1ccccc1)NC(=O)Nc2ccc(cc2)Cl CSC048068074 [0,1,0,0,1,0|2,0,0]=4 43 B23R2.186166 CC(NC(=O)NC(C(=O)O)c1ccccc1)c2ccccc2 CSC068808002 [0,1,0,0,1,0|2,0,0]=4 44 B23R2.722725 OC(=O)C(NC(=O)NCc1ccc(cc1)Cl)c2ccccc2 CSC094362305 [0,1,0,0,1,0|2,0,0]=4 45 B23R2.11780893 NC(=O)C(Cc1ccc(cc1)Cl)NC(=O)CCn2cccc2 CSC080662940 [0,1,0,0,1,0|2,0,0]=4 46 B25R2.8106733 Cc1cccc(c1)CC(CNC(=O)CCc2ccccc2)C(=O)O CSC056979161 [0,1,0,0,0,1|2,0,0]=4 47 B25R2.16098451 CC(C(NCC(=O)NCc1cccnc1)C(=O)N)c2ccccc2 CSC069897896 [0,1,0,0,0,1|2,0,0]=4 48 B25R2.225733 CC(CCC(=O)NC(Cc1ccccc1)C(=O)O)c2ccccc2 CSC057411103 [0,1,0,0,0,1|2,0,0]=4 49 B25R2.225733 CC(CCC(=O)N[C@H](Cc1ccccc1)C(=O)O)c2ccccc2 CSC057208306 [0,1,0,0,0,1|2,0,0]=4 50 B25R2.225733 OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)c2ccccc2 CSC088620322 [0,1,0,0,0,1|2,0,0]=4 51 B25R2.8093063 Cc1cccc(c1)CSCC(=O)NC(Cc2ccccc2)C(=O)O CSC057295559 [0,1,0,0,0,1|1,1,0]=4 52 B25R2.8093063 Cc1cccc(c1)CSCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057715721 [0,1,0,0,0,1|1,1,0]=4 53 B25R2.8093063 Cc1cccc(c1)OCCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057287223 [0,1,0,0,0,1|2,0,0]=4 54 B25R2.8093063 OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCOc2cccc(c2)Br CSC064681724 [0,1,0,0,0,1|2,0,0]=4 55 B25R2.8278958 Cc1ccccc1COCC(=O)NC(Cc2ccncc2)C(=O)O CSC066800808 [0,1,0,0,0,1|2,0,0]=4 56 B25R2.8278958 Cc1ccccc1NCCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057558167 [0,1,0,0,0,1|2,0,0]=4 57 B25R2.8435657 CN(C(Cc1ccccc1)C(=O)O)C(=O)CCCc2ccccc2 CSC057624117 [0,1,0,0,0,1|2,0,0]=4 58 B25R2.8435657 CN(C(Cc1ccccc1)C(=O)O)C(=O)COCc2ccccc2 CSC057736429 [0,1,0,0,0,1|1,0,0]=3 59 B25R2.16129239 CC(C(NC(=O)CCCc1cccnc1)C(=O)N)c2ccccc2 CSC073409894 [0,1,0,0,0,1|2,0,0]=4 60 B25R2.23122079 NC(=O)C(Cc1ccc(cc1)Cl)NC(=O)CCCc2cccnc2 CSC098441645 [0,1,0,0,0,1|2,0,0]=4 61 B25R2.147511 COC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc2ccccc2 CSC056858672 [0,2,0,0,0,0|2,0,0]=4 62 B25R2.147511 COC(=O)C(Cc1ccccc1)NC(=O)[C@@H](N)Cc2ccccc2 CSC057280363 [0,2,0,0,0,0|2,0,0]=4 63 B25R2.147511 COC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc2ccccc2 CSC047300888 [0,2,0,0,0,0|2,0,0]=4 64 B25R2.838678 CCNC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2 CSC000002322 [0,2,0,0,0,0|0,0,0]=2 65 B25R2.6089097 COC(=O)C(Cc1ccccc1)NC(=O)CCc2ccccc2N CSC057048672 [0,2,0,0,0,0|2,0,0]=4 66 B25R2.6098360 COC(=O)C(Cc1ccccc1)NC(=O)CC(N)c2ccccc2 CSC057513547 [0,2,0,0,0,0|2,0,0]=4 67 B25R2.7753043 CC(Cc1ccc(cc1)C)C(=O)NC(Cc2ccccc2)C(=O)O CSC056910843 [0,2,0,0,0,0|2,0,0]=4 68 B25R2.7753043 CC(Cc1ccc(cc1)C)C(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057134294 [0,2,0,0,0,0|2,0,0]=4 69 B25R2.8106778 CC(Cc1cccc(c1)Cl)C(=O)NC(Cc2ccccc2)C(=O)O CSC057096265 [0,2,0,0,0,0|2,0,0]=4 70 B25R2.8106778 CC(Cc1cccc(c1)Cl)C(=O)N[C@H](Cc2ccccc2)C(=O)O CSC056863665 [0,2,0,0,0,0|2,0,0]=4 71 B25R2.8106778 CC(Cc1cccc(c1)F)C(=O)NC(Cc2ccccc2)C(=O)O CSC057528763 [0,2,0,0,0,0|2,0,0]=4 72 B25R2.8106778 CC(Cc1cccc(c1)F)C(=O)N[C@H](Cc2ccccc2)C(=O)O CSC056895719 [0,2,0,0,0,0|2,0,0]=4 73 B25R2.8434768 CC(C)(Cc1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)O CSC057629048 [0,2,0,0,0,0|2,0,0]=4 74 B25R2.10600944 CC(Cc1ccccc1Cl)C(=O)NC(Cc2ccccc2)C(=O)O CSC057313946 [0,2,0,0,0,0|2,0,0]=4 75 B25R2.10600944 CC(Cc1ccccc1Cl)C(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057282188 [0,2,0,0,0,0|2,0,0]=4 76 B25R2.10600944 CC(Cc1ccccc1F)C(=O)NC(Cc2ccccc2)C(=O)O CSC057747183 [0,2,0,0,0,0|2,0,0]=4 77 B25R2.10600944 CC(Cc1ccccc1F)C(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057039752 [0,2,0,0,0,0|2,0,0]=4 78 B25R2.1200671 CN(C(Cc1ccccc1)C(=O)O)C(=O)CCc2ccc(cc2)F CSC057313012 [0,2,0,0,0,0|2,0,0]=4 79 B25R2.8290855 CN(C(Cc1ccccc1)C(=O)O)C(=O)CCc2ccccc2C CSC057186373 [0,2,0,0,0,0|2,0,0]=4 80 B25R2.8435646 CC(CC(=O)N(C)C(Cc1ccccc1)C(=O)O)c2ccccc2 CSC057156963 [0,2,0,0,0,0|2,0,0]=4 81 B25R2.14552093 CN(C(Cc1ccccc1)C(=O)O)C(=O)CCc2cccc(c2)C CSC057523460 [0,2,0,0,0,0|2,0,0]=4 82 B25R2.14552093 CN(C(Cc1ccccc1)C(=O)O)C(=O)NCc2cccc(c2)Br CSC096418857 [0,2,0,0,0,0|2,0,0]=4 83 B25R2.1464185 COc1ccccc1CCC(=O)NC(Cc2ccccc2)C(=O)O CSC057466391 [0,2,0,0,0,0|2,0,0]=4 84 B25R2.1464185 COc1ccccc1CCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057001244 [0,2,0,0,0,0|2,0,0]=4 85 B25R2.8333331 Cc1ccc(c(c1)C)CCC(=O)NC(Cc2ccccc2)C(=O)O CSC056663981 [0,2,0,0,0,0|2,0,0]=4 86 B25R2.8333331 Cc1ccc(c(c1)C)CCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC056675093 [0,2,0,0,0,0|2,0,0]=4 87 B25R2.8333331 Cc1ccc(c(c1)C)CNC(=O)NC(Cc2ccccc2)C(=O)O CSC091726610 [0,2,0,0,0,0|2,0,0]=4 88 B25R2.8333331 OC(=O)C(Cc1ccccc1)NC(=O)CCc2ccc(cc2Cl)Cl CSC096052289 [0,2,0,0,0,0|2,0,0]=4 89 B25R2.8333331 OC(=O)C(Cc1ccccc1)NC(=O)CCc2ccc(cc2F)Br CSC071783886 [0,2,0,0,0,0|2,0,0]=4 90 B25R2.10590788 CC(CC(=O)NC(Cc1ccccc1)C(=O)O)c2ccccc2C CSC057482234 [0,2,0,0,0,0|2,0,0]=4 91 B25R2.10590788 CC(CC(=O)NC(Cc1ccccc1)C(=O)O)c2ccccc2F CSC057369117 [0,2,0,0,0,0|2,0,0]=4 92 B25R2.10590788 CC(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)c2ccccc2C CSC056900901 [0,2,0,0,0,0|2,0,0]=4 93 B25R2.10590788 CC(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)c2ccccc2F CSC056705071 [0,2,0,0,0,0|2,0,0]=4 94 B25R2.10590788 CC(NC(=O)NC(Cc1ccccc1)C(=O)O)c2ccccc2C CSC063463491 [0,2,0,0,0,0|2,0,0]=4 95 B25R2.10593193 CC(C(NC(=O)NCc1cnccc1C)C(=O)N)c2ccccc2 CSC066095307 [0,2,0,0,0,0|2,0,0]=4 96 B25R2.23323731 NC(=O)C(Cc1ccc(cc1)Cl)NC(=O)CNc2ccccc2Cl CSC065097565 [0,2,0,0,0,0|2,0,0]=4 97 B25R2.23323731 NC(=O)C(Cc1ccc(cc1)Cl)NC(=O)COc2ccccc2O CSC071761909 [0,2,0,0,0,0|2,0,0]=4 98 B25R2.334673 CCc1ccc(cc1)CCC(=O)NC(Cc2ccccc2)C(=O)O CSC056862652 [0,2,0,0,0,0|2,0,0]=4 99 B25R2.334673 CCc1ccc(cc1)CCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057431063 [0,2,0,0,0,0|2,0,0]=4 100 B25R2.334673 COc1ccc(cc1)CCC(=O)NC(Cc2ccccc2)C(=O)O CSC057632047 [0,2,0,0,0,0|2,0,0]=4 101 B25R2.334673 COc1ccc(cc1)CCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057784306 [0,2,0,0,0,0|2,0,0]=4 102 B25R2.1191182 CC(CC(=O)NC(Cc1ccccc1)C(=O)O)c2ccc(cc2)F CSC056947117 [0,2,0,0,0,0|2,0,0]=4 103 B25R2.1191182 CC(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)c2ccc(cc2)F CSC057587472 [0,2,0,0,0,0|2,0,0]=4 104 B25R2.1191182 CC(NC(=O)NC(Cc1ccccc1)C(=O)O)c2ccc(cc2)Br CSC076270368 [0,2,0,0,0,0|2,0,0]=4 105 B25R2.1192661 Cc1cc(ccc1Cl)CNC(=O)NC(Cc2ccccc2)C(=O)O CSC096525252 [0,2,0,0,0,0|2,0,0]=4 106 B25R2.1192661 OC(=O)C(Cc1ccccc1)NC(=O)NCc2ccc(c(c2)Cl)F CSC080246154 [0,2,0,0,0,0|2,0,0]=4 107 B25R2.1740721 CCC(CC(=O)NC(Cc1ccccc1)C(=O)O)c2ccccc2 CSC056729167 [0,2,0,0,0,0|2,0,0]=4 108 B25R2.1740721 CCC(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)c2ccccc2 CSC056864901 [0,2,0,0,0,0|2,0,0]=4 109 B25R2.8089393 CC(CC(=O)NC(Cc1ccccc1)C(=O)O)c2cccc(c2)F CSC056735111 [0,2,0,0,0,0|2,0,0]=4 110 B25R2.8089393 CC(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)c2cccc(c2)F CSC057740367 [0,2,0,0,0,0|2,0,0]=4 111 B25R2.8435051 CC(CC(=O)NC(C(C)c1ccccc1)C(=O)N)c2ccncc2 CSC093542692 [0,2,0,0,0,0|2,0,0]=4 112 B25R2.8435754 CC(C)(CC(=O)NC(Cc1ccccc1)C(=O)O)c2ccccc2 CSC056784146 [0,2,0,0,0,0|2,0,0]=4 113 B25R2.8435754 CC(C)(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)c2ccccc2 CSC056811937 [0,2,0,0,0,0|2,0,0]=4 114 B25R2.23121870 CC(CC(=O)NC(Cc1ccc(cc1)Cl)C(=O)N)c2ccncc2 CSC093909040 [0,2,0,0,0,0|2,0,0]=4 115 B25R2.23121870 CN(CC(=O)NC(Cc1ccc(cc1)Cl)C(=O)N)c2ccccc2 CSC093909129 [0,2,0,0,0,0|2,0,0]=4 116 B25R2.7669946 Cc1cc(cc(c1)CCC(=O)NC(Cc2ccccc2)C(=O)O)C CSC057757734 [0,2,0,0,0,0|2,0,0]=4 117 B25R2.7669946 Cc1cc(cc(c1)CCC(=O)N[C@H](Cc2ccccc2)C(=O)O)C CSC057294718 [0,2,0,0,0,0|2,0,0]=4 118 B25R2.28498487 COc1cccc(c1)CCC(=O)NC(Cc2ccccc2)C(=O)O CSC057424107 [0,2,0,0,0,0|2,0,0]=4 119 B25R2.28498487 COc1cccc(c1)CCC(=O)N[C@H](Cc2ccccc2)C(=O)O CSC057755412 [0,2,0,0,0,0|2,0,0]=4 120 B25R3.2650762 OC(=O)C(Cc1ccccc1)NC(=O)C2CCc3c2cccc3 CSC057176703 [0,0,0,1,0,1|2,0,0]=4 121 B25R3.924315 CNC(=O)C1Cc2ccccc2N1C(=O)C=Cc3ccccc3 CSC048212380 [0,1,0,1,0,0|1,0,1]=4 122 B25R3.3959216 OC(=O)C1Cc2ccccc2CN1C(=O)CCc3ccccc3 CSC056817260 [0,1,0,1,0,0|2,0,0]=4 123 B25R3.14761228 CN(C(Cc1ccccc1)C(=O)O)C(=O)C2Cc3c2cccc3 CSC057383019 [0,1,0,1,0,0|2,0,0]=4 124 B21R2.252130 OC(=O)C(NC(=O)Nc1ccccc1)c2ccccc2 CSC046263529 [0,0,0,0,2,0|2,0,0]=4 125 B23R2.43143 CC(=O)NC(Cc1ccccc1)C(=O)NCc2ccccc2 CSC000028190 [0,0,0,0,1,1|2,0,0]=4 126 B25R2.726990 OC(=O)CCC(Cc1ccccc1)NC(=O)CCc2ccccc2 CSC057748311 [0,0,0,0,0,2|2,0,0]=4 127 B25R2.8434770 OC(=O)C(Cc1ccccc1)NC(=O)CCCOc2ccccc2 CSC056698076 [0,0,0,0,0,2|2,0,0]=4 128 B25R2.8434770 OC(=O)C(Cc1ccccc1)NC(=O)CCOCc2ccccc2 CSC057522694 [0,0,0,0,0,2|1,0,0]=3 129 B25R2.8434770 OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCOc2ccccc2 CSC057162676 [0,0,0,0,0,2|2,0,0]=4 130 B25R2.8434770 OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCOCc2ccccc2 CSC057260255 [0,0,0,0,0,2|1,0,0]=3 131 B25R2.8434770 OC(=O)[C@@H](Cc1ccccc1)NC(=O)COCCc2ccccc2 CSC057403817 [0,0,0,0,0,2|1,0,0]=3