PC-Compounds ::= { { id { id cid 59582132 }, atoms { aid { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156 }, element { pt, pt, o, o, o, o, n, n, n, n, n, n, n, n, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h }, charge { { aid 7, value 1 }, { aid 8, value 1 }, { aid 9, value -1 }, { aid 10, value -1 }, { aid 11, value -1 }, { aid 12, value -1 }, { aid 13, value -1 }, { aid 14, value -1 } } }, bonds { aid1 { 1, 1, 1, 1, 2, 2, 2, 2, 3, 3, 4, 4, 5, 6, 7, 7, 7, 7, 8, 8, 8, 8, 9, 9, 10, 10, 11, 11, 12, 12, 13, 13, 14, 14, 15, 15, 15, 16, 16, 17, 17, 17, 18, 18, 18, 19, 19, 19, 20, 20, 20, 21, 21, 21, 22, 22, 22, 23, 23, 23, 24, 24, 24, 25, 25, 25, 26, 26, 26, 26, 27, 27, 27, 28, 28, 28, 29, 29, 29, 30, 30, 30, 30, 31, 31, 31, 32, 32, 32, 33, 33, 33, 34, 34, 34, 35, 35, 35, 36, 36, 36, 37, 37, 38, 38, 38, 39, 39, 39, 40, 40, 40, 41, 41, 41, 42, 42, 43, 43, 43, 44, 44, 44, 45, 45, 45, 46, 46, 46, 47, 47, 47, 48, 48, 48, 49, 49, 49, 50, 50, 50, 51, 51, 53, 53, 53, 54, 54, 54, 55, 55, 55, 56, 56, 56 }, aid2 { 3, 9, 11, 12, 4, 10, 13, 14, 52, 135, 5, 142, 51, 52, 15, 17, 61, 62, 16, 18, 63, 64, 37, 125, 42, 134, 143, 144, 145, 146, 150, 151, 152, 153, 16, 57, 58, 59, 60, 19, 65, 66, 20, 67, 68, 21, 69, 70, 22, 71, 72, 23, 73, 74, 24, 75, 76, 25, 77, 78, 27, 79, 80, 37, 81, 82, 28, 29, 83, 84, 42, 87, 88, 33, 85, 86, 34, 89, 90, 31, 32, 91, 92, 35, 93, 94, 36, 95, 96, 38, 97, 98, 39, 99, 100, 40, 101, 102, 41, 103, 104, 105, 106, 43, 107, 108, 45, 109, 110, 44, 111, 112, 46, 113, 114, 115, 116, 47, 117, 118, 48, 119, 120, 49, 121, 122, 50, 123, 124, 51, 126, 127, 52, 128, 129, 53, 130, 131, 54, 132, 133, 136, 137, 55, 138, 139, 56, 140, 141, 147, 148, 149, 154, 155, 156 }, order { complex, complex, complex, complex, complex, complex, complex, complex, single, single, single, single, single, double, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single } }, coords { { type { twod, computed, units-unknown }, aid { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156 }, conformers { { x { { 323109, 10, -4 }, { 158564, 10, -4 }, { 331769, 10, -4 }, { 149904, 10, -4 }, { 141244, 10, -4 }, { 340429, 10, -4 }, { 253827, 10, -4 }, { 227846, 10, -4 }, { 314449, 10, -4 }, { 167224, 10, -4 }, { 318109, 10, -4 }, { 328109, 10, -4 }, { 153564, 10, -4 }, { 163564, 10, -4 }, { 245167, 10, -4 }, { 236506, 10, -4 }, { 262487, 10, -4 }, { 219186, 10, -4 }, { 271147, 10, -4 }, { 210526, 10, -4 }, { 279808, 10, -4 }, { 201865, 10, -4 }, { 288468, 10, -4 }, { 193205, 10, -4 }, { 297128, 10, -4 }, { 80622, 10, -4 }, { 184545, 10, -4 }, { 89282, 10, -4 }, { 71962, 10, -4 }, { 392391, 10, -4 }, { 383731, 10, -4 }, { 401051, 10, -4 }, { 97942, 10, -4 }, { 63301, 10, -4 }, { 37507, 10, -3 }, { 409711, 10, -4 }, { 305788, 10, -4 }, { 106603, 10, -4 }, { 54641, 10, -4 }, { 36641, 10, -3 }, { 418372, 10, -4 }, { 175885, 10, -4 }, { 115263, 10, -4 }, { 35775, 10, -3 }, { 45981, 10, -4 }, { 427032, 10, -4 }, { 123923, 10, -4 }, { 34909, 10, -3 }, { 3732, 10, -3 }, { 435692, 10, -4 }, { 132583, 10, -4 }, { 340429, 10, -4 }, { 2866, 10, -3 }, { 444352, 10, -4 }, { 2, 10, 0 }, { 453013, 10, -4 }, { 249152, 10, -4 }, { 241181, 10, -4 }, { 232521, 10, -4 }, { 240492, 10, -4 }, { 250727, 10, -4 }, { 256927, 10, -4 }, { 224746, 10, -4 }, { 230946, 10, -4 }, { 258502, 10, -4 }, { 266472, 10, -4 }, { 223171, 10, -4 }, { 215201, 10, -4 }, { 275133, 10, -4 }, { 267162, 10, -4 }, { 20654, 10, -3 }, { 214511, 10, -4 }, { 275822, 10, -4 }, { 283793, 10, -4 }, { 205851, 10, -4 }, { 19788, 10, -3 }, { 292453, 10, -4 }, { 284483, 10, -4 }, { 18922, 10, -3 }, { 19719, 10, -3 }, { 293143, 10, -4 }, { 301113, 10, -4 }, { 76636, 10, -4 }, { 84607, 10, -4 }, { 93267, 10, -4 }, { 85297, 10, -4 }, { 18853, 10, -3 }, { 18056, 10, -3 }, { 75947, 10, -4 }, { 67976, 10, -4 }, { 388406, 10, -4 }, { 396376, 10, -4 }, { 387716, 10, -4 }, { 379745, 10, -4 }, { 405036, 10, -4 }, { 397066, 10, -4 }, { 93957, 10, -4 }, { 101928, 10, -4 }, { 59316, 10, -4 }, { 67287, 10, -4 }, { 371085, 10, -4 }, { 379056, 10, -4 }, { 405726, 10, -4 }, { 413697, 10, -4 }, { 309774, 10, -4 }, { 301803, 10, -4 }, { 110588, 10, -4 }, { 102617, 10, -4 }, { 58626, 10, -4 }, { 50656, 10, -4 }, { 370395, 10, -4 }, { 362425, 10, -4 }, { 422357, 10, -4 }, { 414386, 10, -4 }, { 171899, 10, -4 }, { 17987, 10, -3 }, { 111278, 10, -4 }, { 119248, 10, -4 }, { 353765, 10, -4 }, { 361735, 10, -4 }, { 41996, 10, -4 }, { 49966, 10, -4 }, { 423047, 10, -4 }, { 431017, 10, -4 }, { 314449, 10, -4 }, { 127908, 10, -4 }, { 119938, 10, -4 }, { 353075, 10, -4 }, { 345104, 10, -4 }, { 41306, 10, -4 }, { 33335, 10, -4 }, { 439677, 10, -4 }, { 431707, 10, -4 }, { 167224, 10, -4 }, { 331769, 10, -4 }, { 128598, 10, -4 }, { 136569, 10, -4 }, { 24675, 10, -4 }, { 32646, 10, -4 }, { 440367, 10, -4 }, { 448338, 10, -4 }, { 149904, 10, -4 }, { 321209, 10, -4 }, { 311909, 10, -4 }, { 325009, 10, -4 }, { 334309, 10, -4 }, { 231, 10, -2 }, { 14631, 10, -4 }, { 169, 10, -2 }, { 156664, 10, -4 }, { 147364, 10, -4 }, { 160464, 10, -4 }, { 169764, 10, -4 }, { 456113, 10, -4 }, { 458382, 10, -4 }, { 449913, 10, -4 } }, y { { -25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { -25, 10, -2 }, { 25, 10, -2 }, { -125, 10, -2 }, { -25, 10, -2 }, { 25, 10, -2 }, { -75, 10, -2 }, { 75, 10, -2 }, { 616, 10, -3 }, { -1116, 10, -3 }, { 1116, 10, -3 }, { -616, 10, -3 }, { 25, 10, -2 }, { -25, 10, -2 }, { -75, 10, -2 }, { 75, 10, -2 }, { -25, 10, -2 }, { 25, 10, -2 }, { -75, 10, -2 }, { 75, 10, -2 }, { -25, 10, -2 }, { 25, 10, -2 }, { -75, 10, -2 }, { -25, 10, -2 }, { 75, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { -25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { -25, 10, -2 }, { 25, 10, -2 }, { 25, 10, -2 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7869, 10, -4 }, { 2869, 10, -4 }, { -2869, 10, -4 }, { 7869, 10, -4 }, { -1225, 10, -3 }, { -1225, 10, -3 }, { 1225, 10, -3 }, { 1225, 10, -3 }, { 2249, 10, -4 }, { 2249, 10, -4 }, { -2249, 10, -4 }, { -2249, 10, -4 }, { -1225, 10, -3 }, { -1225, 10, -3 }, { 1225, 10, -3 }, { 1225, 10, -3 }, { 2249, 10, -4 }, { 2249, 10, -4 }, { -2249, 10, -4 }, { -2249, 10, -4 }, { -1225, 10, -3 }, { -1225, 10, -3 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 1225, 10, -3 }, { 1225, 10, -3 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { 2249, 10, -4 }, { 2249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { -2249, 10, -4 }, { -2249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -137, 10, -2 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 7249, 10, -4 }, { 137, 10, -2 }, { 87, 10, -2 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -7249, 10, -4 }, { -87, 10, -2 }, { 1153, 10, -3 }, { 616, 10, -3 }, { -1653, 10, -3 }, { -1116, 10, -3 }, { 7869, 10, -4 }, { 56, 10, -2 }, { -2869, 10, -4 }, { 1653, 10, -3 }, { 1116, 10, -3 }, { -1153, 10, -3 }, { -616, 10, -3 }, { -2869, 10, -4 }, { 56, 10, -2 }, { 7869, 10, -4 } } } } } }, charge -4, props { { urn { label "Compound", name "Canonicalized", datatype uint, release "2019.01.04" }, value ival 1 }, { urn { label "Compound Complexity", datatype double, implementation "E_COMPLEXITY", version "3.4.6.11", software "Cactvs", source "xemistry.com", release "2019.06.18" }, value fval { 597, 10, 0 } }, { urn { label "Count", name "Hydrogen Bond Acceptor", datatype uint, implementation "E_NHACCEPTORS", version "3.4.6.11", software "Cactvs", source "xemistry.com", release "2019.06.18" }, value ival 10 }, { urn { label "Count", name "Hydrogen Bond Donor", datatype uint, implementation "E_NHDONORS", version "3.4.6.11", software "Cactvs", source "xemistry.com", release "2019.06.18" }, value ival 10 }, { urn { label "Count", name "Rotatable Bond", datatype uint, implementation "E_NROTBONDS", version "3.4.6.11", software "Cactvs", source "xemistry.com", release "2019.06.18" }, value ival 40 }, { urn { label "Fingerprint", name "SubStructure Keys", datatype fingerprint, parameters "extended 2", implementation "E_SCREEN", version "3.4.6.11", software "Cactvs", source "xemistry.com", release "2019.06.18" }, value binary '00000371F07FF8000000000000000004000000000000000000000000 00000000000000000000001E00100C00000800E18006020802C002000800009008000000000000 0000008108000000401200800014400004100080000198C8A08000000000000000000000000000 000000000000000000'H }, { urn { label "IUPAC Name", name "Allowed", datatype string, version "2.6.6", software "LexiChem", source "openeye.com", release "2019.06.18" }, value sval "azanide;6-[2-(6-azanidylhexylammonio)ethylammonio]hexylaza nide;1-hydroperoxytetradecane;platinum;tetradecanoic acid" }, { urn { label "IUPAC Name", name "CAS-like Style", datatype string, version "2.6.6", software "LexiChem", source "openeye.com", release "2019.06.18" }, value sval "azanide;6-[2-(6-azanidylhexylammonio)ethylammonio]hexylaza nide;1-hydroperoxytetradecane;platinum;tetradecanoic acid" }, { urn { label "IUPAC Name", name "Markup", datatype string, version "2.6.6", software "LexiChem", source "openeye.com", release "2019.06.18" }, value sval "azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexy lazanide;1-hydroperoxytetradecane;platinum;tetradecanoic acid" }, { urn { label "IUPAC Name", name "Preferred", datatype string, version "2.6.6", software "LexiChem", source "openeye.com", release "2019.06.18" }, value sval "azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexy lazanide;1-hydroperoxytetradecane;platinum;tetradecanoic acid" }, { urn { label "IUPAC Name", name "Systematic", datatype string, version "2.6.6", software "LexiChem", source "openeye.com", release "2019.06.18" }, value sval "azanide;6-[2-(6-azanidylhexylazaniumyl)ethylazaniumyl]hexy lazanide;1-(dioxidanyl)tetradecane;platinum;tetradecanoic acid" }, { urn { label "IUPAC Name", name "Traditional", datatype string, version "2.6.6", software "LexiChem", source "openeye.com", release "2019.06.18" }, value sval "6-[2-(6-amidylhexylammonio)ethylammonio]hexylazanide;azani de;1-hydroperoxytetradecane;myristic acid;platinum" }, { urn { label "InChI", name "Standard", datatype string, version "1.0.5", software "InChI", source "iupac.org", release "2019.06.18" }, value sval "InChI=1S/C14H32N4.C14H30O2.C14H28O2.4H2N.2Pt/c15-9-5-1-3-7 -11-17-13-14-18-12-8-4-2-6-10-16;1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15;1-2-3- 4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;/h15-18H,1-14H2;15H,2-14H2,1H3;2-13H2,1H 3,(H,15,16);4*1H2;;/q-2;;;4*-1;;/p+2" }, { urn { label "InChIKey", name "Standard", datatype string, version "1.0.5", software "InChI", source "iupac.org", release "2019.06.18" }, value sval "LBHTYTNYJOVHSW-UHFFFAOYSA-P" }, { urn { label "Mass", name "Exact", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "1169.714232" }, { urn { label "Molecular Formula", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2019.06.18" }, value sval "C42H100N8O4Pt2-4" }, { urn { label "Molecular Weight", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "1171.5" }, { urn { label "SMILES", name "Canonical", datatype string, version "2.1.5", software "OEChem", source "openeye.com", release "2019.06.18" }, value sval "CCCCCCCCCCCCCCOO.CCCCCCCCCCCCCC(=O)O.C(CCC[NH2+]CC[NH2+]CC CCCC[NH-])CC[NH-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt].[Pt]" }, { urn { label "SMILES", name "Isomeric", datatype string, version "2.1.5", software "OEChem", source "openeye.com", release "2019.06.18" }, value sval "CCCCCCCCCCCCCCOO.CCCCCCCCCCCCCC(=O)O.C(CCC[NH2+]CC[NH2+]CC CCCC[NH-])CC[NH-].[NH2-].[NH2-].[NH2-].[NH2-].[Pt].[Pt]" }, { urn { label "Topological", name "Polar Surface Area", datatype double, implementation "E_TPSA", version "3.4.6.11", software "Cactvs", source "xemistry.com", release "2019.06.18" }, value fval { 106, 10, 0 } }, { urn { label "Weight", name "MonoIsotopic", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "1170.71634" } }, count { heavy-atom 56, atom-chiral 0, atom-chiral-def 0, atom-chiral-undef 0, bond-chiral 0, bond-chiral-def 0, bond-chiral-undef 0, isotope-atom 0, covalent-unit 9, tautomers -1 } } }