{"status":"WARNING","message":"APPEARS_AMBIGUOUS: Connection of phenyl to hydantoin","cml":"<cml xmlns=\"http://www.xml-cml.org/schema\" convention=\"conventions:molecular\" xmlns:conventions=\"http://www.xml-cml.org/convention/\" xmlns:cmlDict=\"http://www.xml-cml.org/dictionary/cml/\" xmlns:nameDict=\"http://www.xml-cml.org/dictionary/cml/name/\">\n  <molecule id=\"m1\">\n    <name dictRef=\"nameDict:unknown\">PHENYLTHIOHYDANTOIN GLUTAMIC ACID<\/name>\n    <atomArray>\n      <atom id=\"a1\" elementType=\"N\">\n        <label value=\"N\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a2\" elementType=\"C\">\n        <atomParity atomRefs4=\"a1 a30 a3 a6\">1<\/atomParity>\n        <label value=\"2\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"alpha\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a3\" elementType=\"C\">\n        <label value=\"3\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"beta\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a4\" elementType=\"C\">\n        <label value=\"4\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"gamma\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a5\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"5\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"delta\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a6\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"1\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a8\" elementType=\"O\" hydrogenCount=\"0\">\n        <label value=\"O''\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a9\" elementType=\"O\">\n        <label value=\"O\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a11\" elementType=\"O\" hydrogenCount=\"0\">\n        <label value=\"O'''\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a12\" elementType=\"O\">\n        <label value=\"O'\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a28\" elementType=\"H\"/>\n      <atom id=\"a29\" elementType=\"H\"/>\n      <atom id=\"a30\" elementType=\"H\"/>\n      <atom id=\"a31\" elementType=\"H\"/>\n      <atom id=\"a32\" elementType=\"H\"/>\n      <atom id=\"a33\" elementType=\"H\"/>\n      <atom id=\"a34\" elementType=\"H\"/>\n      <atom id=\"a35\" elementType=\"H\"/>\n      <atom id=\"a36\" elementType=\"H\"/>\n      <atom id=\"a13\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"1\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a14\" elementType=\"C\">\n        <label value=\"2\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"ortho\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a15\" elementType=\"C\">\n        <label value=\"3\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"meta\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a16\" elementType=\"C\">\n        <label value=\"4\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"para\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a17\" elementType=\"C\">\n        <label value=\"5\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a18\" elementType=\"C\">\n        <label value=\"6\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a37\" elementType=\"H\"/>\n      <atom id=\"a38\" elementType=\"H\"/>\n      <atom id=\"a39\" elementType=\"H\"/>\n      <atom id=\"a40\" elementType=\"H\"/>\n      <atom id=\"a41\" elementType=\"H\"/>\n      <atom id=\"a20\" elementType=\"N\" hydrogenCount=\"0\">\n        <label value=\"1\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"N\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a21\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"2\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a22\" elementType=\"S\" hydrogenCount=\"0\">\n        <label value=\"S\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a23\" elementType=\"N\">\n        <label value=\"3\" dictRef=\"cmlDict:locant\"/>\n        <label value=\"N'\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a24\" elementType=\"C\" hydrogenCount=\"0\">\n        <label value=\"4\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a25\" elementType=\"O\" hydrogenCount=\"0\">\n        <label value=\"O\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a26\" elementType=\"C\">\n        <label value=\"5\" dictRef=\"cmlDict:locant\"/>\n      <\/atom>\n      <atom id=\"a42\" elementType=\"H\"/>\n      <atom id=\"a43\" elementType=\"H\"/>\n      <atom id=\"a44\" elementType=\"H\"/>\n    <\/atomArray>\n    <bondArray>\n      <bond id=\"a1_a2\" atomRefs2=\"a1 a2\" order=\"S\"/>\n      <bond id=\"a2_a3\" atomRefs2=\"a2 a3\" order=\"S\"/>\n      <bond id=\"a3_a4\" atomRefs2=\"a3 a4\" order=\"S\"/>\n      <bond id=\"a4_a5\" atomRefs2=\"a4 a5\" order=\"S\"/>\n      <bond id=\"a2_a6\" atomRefs2=\"a2 a6\" order=\"S\"/>\n      <bond id=\"a6_a8\" atomRefs2=\"a6 a8\" order=\"D\"/>\n      <bond id=\"a6_a9\" atomRefs2=\"a6 a9\" order=\"S\"/>\n      <bond id=\"a5_a11\" atomRefs2=\"a5 a11\" order=\"D\"/>\n      <bond id=\"a5_a12\" atomRefs2=\"a5 a12\" order=\"S\"/>\n      <bond id=\"a1_a28\" atomRefs2=\"a1 a28\" order=\"S\"/>\n      <bond id=\"a1_a29\" atomRefs2=\"a1 a29\" order=\"S\"/>\n      <bond id=\"a2_a30\" atomRefs2=\"a2 a30\" order=\"S\"/>\n      <bond id=\"a3_a31\" atomRefs2=\"a3 a31\" order=\"S\"/>\n      <bond id=\"a3_a32\" atomRefs2=\"a3 a32\" order=\"S\"/>\n      <bond id=\"a4_a33\" atomRefs2=\"a4 a33\" order=\"S\"/>\n      <bond id=\"a4_a34\" atomRefs2=\"a4 a34\" order=\"S\"/>\n      <bond id=\"a9_a35\" atomRefs2=\"a9 a35\" order=\"S\"/>\n      <bond id=\"a12_a36\" atomRefs2=\"a12 a36\" order=\"S\"/>\n      <bond id=\"a13_a14\" atomRefs2=\"a13 a14\" order=\"D\"/>\n      <bond id=\"a14_a15\" atomRefs2=\"a14 a15\" order=\"S\"/>\n      <bond id=\"a15_a16\" atomRefs2=\"a15 a16\" order=\"D\"/>\n      <bond id=\"a16_a17\" atomRefs2=\"a16 a17\" order=\"S\"/>\n      <bond id=\"a17_a18\" atomRefs2=\"a17 a18\" order=\"D\"/>\n      <bond id=\"a13_a18\" atomRefs2=\"a13 a18\" order=\"S\"/>\n      <bond id=\"a14_a37\" atomRefs2=\"a14 a37\" order=\"S\"/>\n      <bond id=\"a15_a38\" atomRefs2=\"a15 a38\" order=\"S\"/>\n      <bond id=\"a16_a39\" atomRefs2=\"a16 a39\" order=\"S\"/>\n      <bond id=\"a17_a40\" atomRefs2=\"a17 a40\" order=\"S\"/>\n      <bond id=\"a18_a41\" atomRefs2=\"a18 a41\" order=\"S\"/>\n      <bond id=\"a13_a20\" atomRefs2=\"a13 a20\" order=\"S\"/>\n      <bond id=\"a20_a21\" atomRefs2=\"a20 a21\" order=\"S\"/>\n      <bond id=\"a21_a22\" atomRefs2=\"a21 a22\" order=\"D\"/>\n      <bond id=\"a21_a23\" atomRefs2=\"a21 a23\" order=\"S\"/>\n      <bond id=\"a23_a24\" atomRefs2=\"a23 a24\" order=\"S\"/>\n      <bond id=\"a24_a25\" atomRefs2=\"a24 a25\" order=\"D\"/>\n      <bond id=\"a24_a26\" atomRefs2=\"a24 a26\" order=\"S\"/>\n      <bond id=\"a20_a26\" atomRefs2=\"a20 a26\" order=\"S\"/>\n      <bond id=\"a23_a42\" atomRefs2=\"a23 a42\" order=\"S\"/>\n      <bond id=\"a26_a43\" atomRefs2=\"a26 a43\" order=\"S\"/>\n      <bond id=\"a26_a44\" atomRefs2=\"a26 a44\" order=\"S\"/>\n    <\/bondArray>\n  <\/molecule>\n<\/cml>","inchi":"InChI=1/C9H8N2OS.C5H9NO4/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7;6-3(5(9)10)1-2-4(7)8/h1-5H,6H2,(H,10,12,13);3H,1-2,6H2,(H,7,8)(H,9,10)/t;3-/m.0/s1/f/h10H;7,9H","stdinchi":"InChI=1S/C9H8N2OS.C5H9NO4/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7;6-3(5(9)10)1-2-4(7)8/h1-5H,6H2,(H,10,12,13);3H,1-2,6H2,(H,7,8)(H,9,10)/t;3-/m.0/s1","stdinchikey":"YRUXMVODBWVLMB-HVDRVSQOSA-N","smiles":"N[C@@H](CCC(=O)O)C(=O)O.C1(=CC=CC=C1)N1C(=S)NC(=O)C1","warnings":["APPEARS_AMBIGUOUS"]}