QizhiPei/e3fp-pubchem-com · Datasets at Hugging Face

cid stringlengths 1 9	task stringclasses 4 values	coord_norm listlengths 1 224	smiles stringlengths 1 622	instruction stringclasses 32 values	output stringlengths 40 72	molecule_fp listlengths 1 434	selfies stringlengths 3 2.16k
10000860	Molecular Weight	[ [ -1.3984061479568481, 0.19192340970039368, -0.20349542796611786 ], [ -0.18599282205104828, -0.365092009305954, 0.5028666853904724 ], [ 1.0295541286468506, -0.061047814786434174, -0.2761167883872986 ], [ 1.3031880855560303, -0.748287558555603, -1.2969462871551514 ], [ 1.895592212677002, 0.9631093144416809, 0.07235132902860641 ], [ -0.0855272114276886, 0.22776034474372864, 1.7615129947662354 ], [ -1.0426890850067139, -1.0474570989608765, -0.9810457825660706 ], [ 0.47019103169441223, -0.8578080534934998, -1.1599868535995483 ], [ 0.4129205048084259, -0.16805191338062286, 0.2093161791563034 ], [ -0.9792994260787964, 0.23662129044532776, -0.1658620983362198 ], [ -2.0012412071228027, 0.25914430618286133, 0.9115827083587646 ], [ -3.322068691253662, 0.15461768209934235, 0.27176669239997864 ], [ 1.4361402988433838, 0.9234246015548706, 0.27303609251976013 ], [ 2.7458999156951904, 0.3204708397388458, 0.07194648683071136 ], [ -0.2782619297504425, -0.029327357187867165, 0.009073982946574688 ] ]	C[C@@H](C(=O)[O-])[O-].C1C[C@H]([C@@H]1CN)CN.[Pt+2]	Please provide me with the Molecular Weight value of this molecule. Determine the Molecular Weight value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 397.33 g/mol.	[ [ 188, 1334, 128, -1 ], [ 1513, 3587, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2225, 4022, 128, -1 ], [ 2521, 2423, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 3822, 656, -1 ], [ 2225, 929, 656, -1 ], [ 1589, 2678, 574, -1 ], [ 3948, 612, 1729, -1 ], [ 1528, 2864, 128, -1 ], [ 763, 1308, 128, -1 ], [ 763, 2512, 128, -1 ], [ 1528, 137, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 1056, 574, -1 ], [ 1589, 4061, 2347, -1 ], [ 816, 2877, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C@H1][Branch1][C][O-1][C][=Branch1][C][=O][O-1].[N][C][C@@H1][C][C][C@H1][Ring1][Ring2][C][N].[Pt+2]
10000860	Topological Polar Surface Area	[ [ -1.3984061479568481, 0.19192340970039368, -0.20349542796611786 ], [ -0.18599282205104828, -0.365092009305954, 0.5028666853904724 ], [ 1.0295541286468506, -0.061047814786434174, -0.2761167883872986 ], [ 1.3031880855560303, -0.748287558555603, -1.2969462871551514 ], [ 1.895592212677002, 0.9631093144416809, 0.07235132902860641 ], [ -0.0855272114276886, 0.22776034474372864, 1.7615129947662354 ], [ -1.0426890850067139, -1.0474570989608765, -0.9810457825660706 ], [ 0.47019103169441223, -0.8578080534934998, -1.1599868535995483 ], [ 0.4129205048084259, -0.16805191338062286, 0.2093161791563034 ], [ -0.9792994260787964, 0.23662129044532776, -0.1658620983362198 ], [ -2.0012412071228027, 0.25914430618286133, 0.9115827083587646 ], [ -3.322068691253662, 0.15461768209934235, 0.27176669239997864 ], [ 1.4361402988433838, 0.9234246015548706, 0.27303609251976013 ], [ 2.7458999156951904, 0.3204708397388458, 0.07194648683071136 ], [ -0.2782619297504425, -0.029327357187867165, 0.009073982946574688 ] ]	C[C@@H](C(=O)[O-])[O-].C1C[C@H]([C@@H]1CN)CN.[Pt+2]	Could you give me the Topological Polar Surface Area value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 115.00 Å².	[ [ 188, 1334, 128, -1 ], [ 1513, 3587, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2225, 4022, 128, -1 ], [ 2521, 2423, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 3822, 656, -1 ], [ 2225, 929, 656, -1 ], [ 1589, 2678, 574, -1 ], [ 3948, 612, 1729, -1 ], [ 1528, 2864, 128, -1 ], [ 763, 1308, 128, -1 ], [ 763, 2512, 128, -1 ], [ 1528, 137, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 1056, 574, -1 ], [ 1589, 4061, 2347, -1 ], [ 816, 2877, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C@H1][Branch1][C][O-1][C][=Branch1][C][=O][O-1].[N][C][C@@H1][C][C][C@H1][Ring1][Ring2][C][N].[Pt+2]
10000860	Complexity	[ [ -1.3984061479568481, 0.19192340970039368, -0.20349542796611786 ], [ -0.18599282205104828, -0.365092009305954, 0.5028666853904724 ], [ 1.0295541286468506, -0.061047814786434174, -0.2761167883872986 ], [ 1.3031880855560303, -0.748287558555603, -1.2969462871551514 ], [ 1.895592212677002, 0.9631093144416809, 0.07235132902860641 ], [ -0.0855272114276886, 0.22776034474372864, 1.7615129947662354 ], [ -1.0426890850067139, -1.0474570989608765, -0.9810457825660706 ], [ 0.47019103169441223, -0.8578080534934998, -1.1599868535995483 ], [ 0.4129205048084259, -0.16805191338062286, 0.2093161791563034 ], [ -0.9792994260787964, 0.23662129044532776, -0.1658620983362198 ], [ -2.0012412071228027, 0.25914430618286133, 0.9115827083587646 ], [ -3.322068691253662, 0.15461768209934235, 0.27176669239997864 ], [ 1.4361402988433838, 0.9234246015548706, 0.27303609251976013 ], [ 2.7458999156951904, 0.3204708397388458, 0.07194648683071136 ], [ -0.2782619297504425, -0.029327357187867165, 0.009073982946574688 ] ]	C[C@@H](C(=O)[O-])[O-].C1C[C@H]([C@@H]1CN)CN.[Pt+2]	I would like to know the Complexity of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 117.00.	[ [ 188, 1334, 128, -1 ], [ 1513, 3587, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2225, 4022, 128, -1 ], [ 2521, 2423, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 3822, 656, -1 ], [ 2225, 929, 656, -1 ], [ 1589, 2678, 574, -1 ], [ 3948, 612, 1729, -1 ], [ 1528, 2864, 128, -1 ], [ 763, 1308, 128, -1 ], [ 763, 2512, 128, -1 ], [ 1528, 137, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 1056, 574, -1 ], [ 1589, 4061, 2347, -1 ], [ 816, 2877, 128, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C@H1][Branch1][C][O-1][C][=Branch1][C][=O][O-1].[N][C][C@@H1][C][C][C@H1][Ring1][Ring2][C][N].[Pt+2]
10001150	Molecular Weight	[ [ 7.294229030609131, 2.4888100624084473, 0.6707441806793213 ], [ 5.944705486297607, 2.3882956504821777, 0.23277565836906433 ], [ 5.419294357299805, 1.1279469728469849, 0.14038421213626862 ], [ 4.101430892944336, 1.078548789024353, -0.3308880925178528 ], [ 3.421029567718506, -0.14130648970603943, -0.4738040566444397 ], [ 4.098948955535889, -1.3259530067443848, -0.14340591430664062 ], [ 5.408748626708984, -1.2711796760559082, 0.32506024837493896 ], [ 6.072240352630615, -0.05720866471529007, 0.4714241623878479 ], [ 6.08651065826416, -2.4077672958374023, 0.6592745780944824 ], [ 1.9897565841674805, -0.21941259503364563, -0.9679127335548401 ], [ 1.0262411832809448, -0.6570366621017456, 0.1271851807832718 ], [ -0.11582629382610321, 0.3215065002441406, 0.06555931270122528 ], [ 0.5173823237419128, 1.5453640222549438, -0.5445435643196106 ], [ 1.5095547437667847, 1.0541166067123413, -1.4522290229797363 ], [ -1.1159870624542236, -0.3714083135128021, -0.849277913570404 ], [ -0.8816511034965515, -1.7732526063919067, -0.6703281402587891 ], [ 0.38804376125335693, -1.9600560665130615, -0.2208784818649292 ], [ 0.9283145666122437, -3.0508127212524414, -0.12701013684272766 ], [ -2.547044277191162, -0.01572548598051071, -0.5089114308357239 ], [ -3.1415674686431885, 1.0971003770828247, -1.1097819805145264 ], [ -4.439485549926758, 1.45189368724823, -0.7663719058036804 ], [ -5.187246799468994, 0.7308464050292969, 0.17538553476333618 ], [ -4.6196465492248535, -0.41313251852989197, 0.7554206252098083 ], [ -3.2965688705444336, -0.7583244442939758, 0.4246531128883362 ], [ -5.378483772277832, -1.1429474353790283, 1.6315820217132568 ], [ -5.000939846038818, -2.4979593753814697, 1.8492226600646973 ], [ -6.446332931518555, 1.2443302869796753, 0.3771429657936096 ], [ -7.056118488311768, 0.9803937673568726, 1.6352267265319824 ], [ -4.979526042938232, 2.5543298721313477, -1.3756988048553467 ] ]	COC1=CC(=CC(=C1)O)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC(=C(C(=C4)OC)OC)O	Could you give me the Molecular Weight value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 402.40 g/mol.	[ [ 188, 3693, 2712, 2869 ], [ 562, 2752, 4091, 1427 ], [ 2714, 2756, 2155, 1427 ], [ 1738, 1308, 2367, 1244 ], [ 2714, 1428, 3321, 1244 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1528, 912, 3546, 3494 ], [ 3542, 2940, 3632, 3494 ], [ 763, 1008, 1982, 1126 ], [ 1528, 2218, 1392, 1126 ], [ 1528, 1503, 1856, 3042 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 269, 79, 3042 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 2748, 1571 ], [ 3542, 2718, 1428, 2429 ], [ 1528, 1146, 1392, 2429 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 1428, 562, 181 ], [ 1738, 1308, 256, 181 ], [ 2714, 3818, 1889, 1502 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 3119, 1032 ], [ 2714, 2291, 3245, 1032 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 2752, 847, 2595 ], [ 188, 3693, 395, 2595 ], [ 2714, 2808, 3245, 1032 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 2752, 3260, 1032 ], [ 188, 3693, 2316, 1032 ], [ 1738, 1308, 2915, 1110 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1738, 1308, 389, 1244 ], [ 2714, 3840, 228, 1427 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 1618, 1427 ], [ 1738, 1308, 2155, 1427 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][O][C][C@@H1][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][O]
10001150	LogP	[ [ 7.294229030609131, 2.4888100624084473, 0.6707441806793213 ], [ 5.944705486297607, 2.3882956504821777, 0.23277565836906433 ], [ 5.419294357299805, 1.1279469728469849, 0.14038421213626862 ], [ 4.101430892944336, 1.078548789024353, -0.3308880925178528 ], [ 3.421029567718506, -0.14130648970603943, -0.4738040566444397 ], [ 4.098948955535889, -1.3259530067443848, -0.14340591430664062 ], [ 5.408748626708984, -1.2711796760559082, 0.32506024837493896 ], [ 6.072240352630615, -0.05720866471529007, 0.4714241623878479 ], [ 6.08651065826416, -2.4077672958374023, 0.6592745780944824 ], [ 1.9897565841674805, -0.21941259503364563, -0.9679127335548401 ], [ 1.0262411832809448, -0.6570366621017456, 0.1271851807832718 ], [ -0.11582629382610321, 0.3215065002441406, 0.06555931270122528 ], [ 0.5173823237419128, 1.5453640222549438, -0.5445435643196106 ], [ 1.5095547437667847, 1.0541166067123413, -1.4522290229797363 ], [ -1.1159870624542236, -0.3714083135128021, -0.849277913570404 ], [ -0.8816511034965515, -1.7732526063919067, -0.6703281402587891 ], [ 0.38804376125335693, -1.9600560665130615, -0.2208784818649292 ], [ 0.9283145666122437, -3.0508127212524414, -0.12701013684272766 ], [ -2.547044277191162, -0.01572548598051071, -0.5089114308357239 ], [ -3.1415674686431885, 1.0971003770828247, -1.1097819805145264 ], [ -4.439485549926758, 1.45189368724823, -0.7663719058036804 ], [ -5.187246799468994, 0.7308464050292969, 0.17538553476333618 ], [ -4.6196465492248535, -0.41313251852989197, 0.7554206252098083 ], [ -3.2965688705444336, -0.7583244442939758, 0.4246531128883362 ], [ -5.378483772277832, -1.1429474353790283, 1.6315820217132568 ], [ -5.000939846038818, -2.4979593753814697, 1.8492226600646973 ], [ -6.446332931518555, 1.2443302869796753, 0.3771429657936096 ], [ -7.056118488311768, 0.9803937673568726, 1.6352267265319824 ], [ -4.979526042938232, 2.5543298721313477, -1.3756988048553467 ] ]	COC1=CC(=CC(=C1)O)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC(=C(C(=C4)OC)OC)O	I am interested in the LogP of this molecule, could you tell me what it is? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is 2.00.	[ [ 188, 3693, 2712, 2869 ], [ 562, 2752, 4091, 1427 ], [ 2714, 2756, 2155, 1427 ], [ 1738, 1308, 2367, 1244 ], [ 2714, 1428, 3321, 1244 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1528, 912, 3546, 3494 ], [ 3542, 2940, 3632, 3494 ], [ 763, 1008, 1982, 1126 ], [ 1528, 2218, 1392, 1126 ], [ 1528, 1503, 1856, 3042 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 269, 79, 3042 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 2748, 1571 ], [ 3542, 2718, 1428, 2429 ], [ 1528, 1146, 1392, 2429 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 1428, 562, 181 ], [ 1738, 1308, 256, 181 ], [ 2714, 3818, 1889, 1502 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 3119, 1032 ], [ 2714, 2291, 3245, 1032 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 2752, 847, 2595 ], [ 188, 3693, 395, 2595 ], [ 2714, 2808, 3245, 1032 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 2752, 3260, 1032 ], [ 188, 3693, 2316, 1032 ], [ 1738, 1308, 2915, 1110 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1738, 1308, 389, 1244 ], [ 2714, 3840, 228, 1427 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 1618, 1427 ], [ 1738, 1308, 2155, 1427 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][O][C][C@@H1][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][O]
10001150	Topological Polar Surface Area	[ [ 7.294229030609131, 2.4888100624084473, 0.6707441806793213 ], [ 5.944705486297607, 2.3882956504821777, 0.23277565836906433 ], [ 5.419294357299805, 1.1279469728469849, 0.14038421213626862 ], [ 4.101430892944336, 1.078548789024353, -0.3308880925178528 ], [ 3.421029567718506, -0.14130648970603943, -0.4738040566444397 ], [ 4.098948955535889, -1.3259530067443848, -0.14340591430664062 ], [ 5.408748626708984, -1.2711796760559082, 0.32506024837493896 ], [ 6.072240352630615, -0.05720866471529007, 0.4714241623878479 ], [ 6.08651065826416, -2.4077672958374023, 0.6592745780944824 ], [ 1.9897565841674805, -0.21941259503364563, -0.9679127335548401 ], [ 1.0262411832809448, -0.6570366621017456, 0.1271851807832718 ], [ -0.11582629382610321, 0.3215065002441406, 0.06555931270122528 ], [ 0.5173823237419128, 1.5453640222549438, -0.5445435643196106 ], [ 1.5095547437667847, 1.0541166067123413, -1.4522290229797363 ], [ -1.1159870624542236, -0.3714083135128021, -0.849277913570404 ], [ -0.8816511034965515, -1.7732526063919067, -0.6703281402587891 ], [ 0.38804376125335693, -1.9600560665130615, -0.2208784818649292 ], [ 0.9283145666122437, -3.0508127212524414, -0.12701013684272766 ], [ -2.547044277191162, -0.01572548598051071, -0.5089114308357239 ], [ -3.1415674686431885, 1.0971003770828247, -1.1097819805145264 ], [ -4.439485549926758, 1.45189368724823, -0.7663719058036804 ], [ -5.187246799468994, 0.7308464050292969, 0.17538553476333618 ], [ -4.6196465492248535, -0.41313251852989197, 0.7554206252098083 ], [ -3.2965688705444336, -0.7583244442939758, 0.4246531128883362 ], [ -5.378483772277832, -1.1429474353790283, 1.6315820217132568 ], [ -5.000939846038818, -2.4979593753814697, 1.8492226600646973 ], [ -6.446332931518555, 1.2443302869796753, 0.3771429657936096 ], [ -7.056118488311768, 0.9803937673568726, 1.6352267265319824 ], [ -4.979526042938232, 2.5543298721313477, -1.3756988048553467 ] ]	COC1=CC(=CC(=C1)O)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC(=C(C(=C4)OC)OC)O	Could you give me the Topological Polar Surface Area value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 104.00 Å².	[ [ 188, 3693, 2712, 2869 ], [ 562, 2752, 4091, 1427 ], [ 2714, 2756, 2155, 1427 ], [ 1738, 1308, 2367, 1244 ], [ 2714, 1428, 3321, 1244 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1528, 912, 3546, 3494 ], [ 3542, 2940, 3632, 3494 ], [ 763, 1008, 1982, 1126 ], [ 1528, 2218, 1392, 1126 ], [ 1528, 1503, 1856, 3042 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 269, 79, 3042 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 2748, 1571 ], [ 3542, 2718, 1428, 2429 ], [ 1528, 1146, 1392, 2429 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 1428, 562, 181 ], [ 1738, 1308, 256, 181 ], [ 2714, 3818, 1889, 1502 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 3119, 1032 ], [ 2714, 2291, 3245, 1032 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 2752, 847, 2595 ], [ 188, 3693, 395, 2595 ], [ 2714, 2808, 3245, 1032 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 2752, 3260, 1032 ], [ 188, 3693, 2316, 1032 ], [ 1738, 1308, 2915, 1110 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1738, 1308, 389, 1244 ], [ 2714, 3840, 228, 1427 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 1618, 1427 ], [ 1738, 1308, 2155, 1427 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][O][C][C@@H1][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][O]
10001150	Complexity	[ [ 7.294229030609131, 2.4888100624084473, 0.6707441806793213 ], [ 5.944705486297607, 2.3882956504821777, 0.23277565836906433 ], [ 5.419294357299805, 1.1279469728469849, 0.14038421213626862 ], [ 4.101430892944336, 1.078548789024353, -0.3308880925178528 ], [ 3.421029567718506, -0.14130648970603943, -0.4738040566444397 ], [ 4.098948955535889, -1.3259530067443848, -0.14340591430664062 ], [ 5.408748626708984, -1.2711796760559082, 0.32506024837493896 ], [ 6.072240352630615, -0.05720866471529007, 0.4714241623878479 ], [ 6.08651065826416, -2.4077672958374023, 0.6592745780944824 ], [ 1.9897565841674805, -0.21941259503364563, -0.9679127335548401 ], [ 1.0262411832809448, -0.6570366621017456, 0.1271851807832718 ], [ -0.11582629382610321, 0.3215065002441406, 0.06555931270122528 ], [ 0.5173823237419128, 1.5453640222549438, -0.5445435643196106 ], [ 1.5095547437667847, 1.0541166067123413, -1.4522290229797363 ], [ -1.1159870624542236, -0.3714083135128021, -0.849277913570404 ], [ -0.8816511034965515, -1.7732526063919067, -0.6703281402587891 ], [ 0.38804376125335693, -1.9600560665130615, -0.2208784818649292 ], [ 0.9283145666122437, -3.0508127212524414, -0.12701013684272766 ], [ -2.547044277191162, -0.01572548598051071, -0.5089114308357239 ], [ -3.1415674686431885, 1.0971003770828247, -1.1097819805145264 ], [ -4.439485549926758, 1.45189368724823, -0.7663719058036804 ], [ -5.187246799468994, 0.7308464050292969, 0.17538553476333618 ], [ -4.6196465492248535, -0.41313251852989197, 0.7554206252098083 ], [ -3.2965688705444336, -0.7583244442939758, 0.4246531128883362 ], [ -5.378483772277832, -1.1429474353790283, 1.6315820217132568 ], [ -5.000939846038818, -2.4979593753814697, 1.8492226600646973 ], [ -6.446332931518555, 1.2443302869796753, 0.3771429657936096 ], [ -7.056118488311768, 0.9803937673568726, 1.6352267265319824 ], [ -4.979526042938232, 2.5543298721313477, -1.3756988048553467 ] ]	COC1=CC(=CC(=C1)O)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC(=C(C(=C4)OC)OC)O	I need to know the Complexity of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 585.00.	[ [ 188, 3693, 2712, 2869 ], [ 562, 2752, 4091, 1427 ], [ 2714, 2756, 2155, 1427 ], [ 1738, 1308, 2367, 1244 ], [ 2714, 1428, 3321, 1244 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1528, 912, 3546, 3494 ], [ 3542, 2940, 3632, 3494 ], [ 763, 1008, 1982, 1126 ], [ 1528, 2218, 1392, 1126 ], [ 1528, 1503, 1856, 3042 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 269, 79, 3042 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 2748, 1571 ], [ 3542, 2718, 1428, 2429 ], [ 1528, 1146, 1392, 2429 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 1428, 562, 181 ], [ 1738, 1308, 256, 181 ], [ 2714, 3818, 1889, 1502 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 3119, 1032 ], [ 2714, 2291, 3245, 1032 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 2752, 847, 2595 ], [ 188, 3693, 395, 2595 ], [ 2714, 2808, 3245, 1032 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 2752, 3260, 1032 ], [ 188, 3693, 2316, 1032 ], [ 1738, 1308, 2915, 1110 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1738, 1308, 389, 1244 ], [ 2714, 3840, 228, 1427 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 1618, 1427 ], [ 1738, 1308, 2155, 1427 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][O][C][C@@H1][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][O]
10003607	Molecular Weight	[ [ -3.7830989360809326, -2.1148507595062256, -1.5317367315292358 ], [ -3.7307920455932617, -1.7093316316604614, -0.03171603009104729 ], [ -5.163683891296387, -1.6678316593170166, 0.4986501634120941 ], [ -5.677518844604492, -0.280436635017395, 0.11366845667362213 ], [ -4.453707218170166, 0.568996787071228, -0.3663983643054962 ], [ -3.25376296043396, -0.23942723870277405, 0.23805509507656097 ], [ -1.7699131965637207, -0.0706326961517334, -0.21610957384109497 ], [ -1.165407419204712, 1.3167864084243774, 0.036989908665418625 ], [ 0.2411579042673111, 1.4782413244247437, -0.5481730699539185 ], [ 1.2323634624481201, 0.41800475120544434, -0.026267237961292267 ], [ 2.7562427520751953, 0.6677990555763245, -0.4229675829410553 ], [ 3.1959218978881836, 2.0668787956237793, 0.11167144775390625 ], [ 4.703491687774658, 2.3100192546844482, 0.07893720269203186 ], [ 5.484330654144287, 1.222872018814087, 0.8087747097015381 ], [ 5.17087459564209, -0.2166859656572342, 0.3067752420902252 ], [ 3.6107773780822754, -0.4213635325431824, 0.33186617493629456 ], [ 3.1379358768463135, -1.8461639881134033, -0.018080497160553932 ], [ 1.6704137325286865, -2.060481071472168, 0.3728621006011963 ], [ 0.6727838516235352, -1.044197916984558, -0.2498232126235962 ], [ -0.8014906644821167, -1.162253499031067, 0.4408737123012543 ], [ -1.3948493003845215, -2.60026478767395, 0.28894683718681335 ], [ -2.8579351902008057, -2.7137885093688965, 0.7235528826713562 ], [ -0.7123678922653198, -0.9366335272789001, 1.9928158521652222 ], [ 0.5711207389831543, -1.3850916624069214, -1.76735258102417 ], [ 5.848930835723877, -1.202484130859375, 1.2989826202392578 ], [ 5.815692901611328, -0.48882949352264404, -1.0672825574874878 ], [ 6.878629684448242, 1.503385066986084, 0.6894853711128235 ], [ 2.9624478816986084, 0.67421555519104, -1.956244945526123 ], [ -4.6917500495910645, 2.086909055709839, -0.08605359494686127 ], [ -4.209738731384277, 2.5469021797180176, 1.2884340286254883 ], [ -4.169239521026611, 2.970796585083008, -1.2290736436843872 ], [ -6.117856502532959, 2.3289408683776855, -0.10406193137168884 ] ]	C[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(C)(C)O	I would like to know the Molecular Weight of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 444.70 g/mol.	[ [ 188, 2978, 969, 3863 ], [ 711, 223, 969, 3863 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2978, 1389, 1003 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 3755, 1118, 2836 ], [ 1528, 2753, 3326, 3863 ], [ 763, 2331, 3532, 2396 ], [ 763, 3928, 1682, 2396 ], [ 3656, 3298, 1376, 803 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 758, 640 ], [ 763, 3928, 769, 640 ], [ 763, 3928, 3981, 1100 ], [ 3656, 4036, 3241, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 3444, 711 ], [ 1528, 1604, 187, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2331, 2467, 2920 ], [ 763, 2331, 267, 711 ], [ 1528, 1891, 3812, 711 ], [ 3656, 1918, 2413, 1974 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1893, 1974 ], [ 763, 3928, 1544, 1974 ], [ 763, 2331, 2502, 1316 ], [ 1528, 4003, 2502, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 3965, 2413 ], [ 3656, 1592, 285, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 2388, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 285, 3546 ], [ 1528, 2985, 4028, 1974 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2331, 2472, 2215 ], [ 763, 3928, 1206, 1974 ], [ 3656, 4036, 1955, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 389, 711 ], [ 1528, 3278, 4048, 803 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]
10003607	LogP	[ [ -3.7830989360809326, -2.1148507595062256, -1.5317367315292358 ], [ -3.7307920455932617, -1.7093316316604614, -0.03171603009104729 ], [ -5.163683891296387, -1.6678316593170166, 0.4986501634120941 ], [ -5.677518844604492, -0.280436635017395, 0.11366845667362213 ], [ -4.453707218170166, 0.568996787071228, -0.3663983643054962 ], [ -3.25376296043396, -0.23942723870277405, 0.23805509507656097 ], [ -1.7699131965637207, -0.0706326961517334, -0.21610957384109497 ], [ -1.165407419204712, 1.3167864084243774, 0.036989908665418625 ], [ 0.2411579042673111, 1.4782413244247437, -0.5481730699539185 ], [ 1.2323634624481201, 0.41800475120544434, -0.026267237961292267 ], [ 2.7562427520751953, 0.6677990555763245, -0.4229675829410553 ], [ 3.1959218978881836, 2.0668787956237793, 0.11167144775390625 ], [ 4.703491687774658, 2.3100192546844482, 0.07893720269203186 ], [ 5.484330654144287, 1.222872018814087, 0.8087747097015381 ], [ 5.17087459564209, -0.2166859656572342, 0.3067752420902252 ], [ 3.6107773780822754, -0.4213635325431824, 0.33186617493629456 ], [ 3.1379358768463135, -1.8461639881134033, -0.018080497160553932 ], [ 1.6704137325286865, -2.060481071472168, 0.3728621006011963 ], [ 0.6727838516235352, -1.044197916984558, -0.2498232126235962 ], [ -0.8014906644821167, -1.162253499031067, 0.4408737123012543 ], [ -1.3948493003845215, -2.60026478767395, 0.28894683718681335 ], [ -2.8579351902008057, -2.7137885093688965, 0.7235528826713562 ], [ -0.7123678922653198, -0.9366335272789001, 1.9928158521652222 ], [ 0.5711207389831543, -1.3850916624069214, -1.76735258102417 ], [ 5.848930835723877, -1.202484130859375, 1.2989826202392578 ], [ 5.815692901611328, -0.48882949352264404, -1.0672825574874878 ], [ 6.878629684448242, 1.503385066986084, 0.6894853711128235 ], [ 2.9624478816986084, 0.67421555519104, -1.956244945526123 ], [ -4.6917500495910645, 2.086909055709839, -0.08605359494686127 ], [ -4.209738731384277, 2.5469021797180176, 1.2884340286254883 ], [ -4.169239521026611, 2.970796585083008, -1.2290736436843872 ], [ -6.117856502532959, 2.3289408683776855, -0.10406193137168884 ] ]	C[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(C)(C)O	Could you give me the LogP value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is 8.40.	[ [ 188, 2978, 969, 3863 ], [ 711, 223, 969, 3863 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2978, 1389, 1003 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 3755, 1118, 2836 ], [ 1528, 2753, 3326, 3863 ], [ 763, 2331, 3532, 2396 ], [ 763, 3928, 1682, 2396 ], [ 3656, 3298, 1376, 803 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 758, 640 ], [ 763, 3928, 769, 640 ], [ 763, 3928, 3981, 1100 ], [ 3656, 4036, 3241, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 3444, 711 ], [ 1528, 1604, 187, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2331, 2467, 2920 ], [ 763, 2331, 267, 711 ], [ 1528, 1891, 3812, 711 ], [ 3656, 1918, 2413, 1974 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1893, 1974 ], [ 763, 3928, 1544, 1974 ], [ 763, 2331, 2502, 1316 ], [ 1528, 4003, 2502, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 3965, 2413 ], [ 3656, 1592, 285, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 2388, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 285, 3546 ], [ 1528, 2985, 4028, 1974 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2331, 2472, 2215 ], [ 763, 3928, 1206, 1974 ], [ 3656, 4036, 1955, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 389, 711 ], [ 1528, 3278, 4048, 803 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]
10003607	Topological Polar Surface Area	[ [ -3.7830989360809326, -2.1148507595062256, -1.5317367315292358 ], [ -3.7307920455932617, -1.7093316316604614, -0.03171603009104729 ], [ -5.163683891296387, -1.6678316593170166, 0.4986501634120941 ], [ -5.677518844604492, -0.280436635017395, 0.11366845667362213 ], [ -4.453707218170166, 0.568996787071228, -0.3663983643054962 ], [ -3.25376296043396, -0.23942723870277405, 0.23805509507656097 ], [ -1.7699131965637207, -0.0706326961517334, -0.21610957384109497 ], [ -1.165407419204712, 1.3167864084243774, 0.036989908665418625 ], [ 0.2411579042673111, 1.4782413244247437, -0.5481730699539185 ], [ 1.2323634624481201, 0.41800475120544434, -0.026267237961292267 ], [ 2.7562427520751953, 0.6677990555763245, -0.4229675829410553 ], [ 3.1959218978881836, 2.0668787956237793, 0.11167144775390625 ], [ 4.703491687774658, 2.3100192546844482, 0.07893720269203186 ], [ 5.484330654144287, 1.222872018814087, 0.8087747097015381 ], [ 5.17087459564209, -0.2166859656572342, 0.3067752420902252 ], [ 3.6107773780822754, -0.4213635325431824, 0.33186617493629456 ], [ 3.1379358768463135, -1.8461639881134033, -0.018080497160553932 ], [ 1.6704137325286865, -2.060481071472168, 0.3728621006011963 ], [ 0.6727838516235352, -1.044197916984558, -0.2498232126235962 ], [ -0.8014906644821167, -1.162253499031067, 0.4408737123012543 ], [ -1.3948493003845215, -2.60026478767395, 0.28894683718681335 ], [ -2.8579351902008057, -2.7137885093688965, 0.7235528826713562 ], [ -0.7123678922653198, -0.9366335272789001, 1.9928158521652222 ], [ 0.5711207389831543, -1.3850916624069214, -1.76735258102417 ], [ 5.848930835723877, -1.202484130859375, 1.2989826202392578 ], [ 5.815692901611328, -0.48882949352264404, -1.0672825574874878 ], [ 6.878629684448242, 1.503385066986084, 0.6894853711128235 ], [ 2.9624478816986084, 0.67421555519104, -1.956244945526123 ], [ -4.6917500495910645, 2.086909055709839, -0.08605359494686127 ], [ -4.209738731384277, 2.5469021797180176, 1.2884340286254883 ], [ -4.169239521026611, 2.970796585083008, -1.2290736436843872 ], [ -6.117856502532959, 2.3289408683776855, -0.10406193137168884 ] ]	C[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(C)(C)O	I am interested in the Topological Polar Surface Area of this molecule, could you tell me what it is? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 40.50 Å².	[ [ 188, 2978, 969, 3863 ], [ 711, 223, 969, 3863 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2978, 1389, 1003 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 3755, 1118, 2836 ], [ 1528, 2753, 3326, 3863 ], [ 763, 2331, 3532, 2396 ], [ 763, 3928, 1682, 2396 ], [ 3656, 3298, 1376, 803 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 758, 640 ], [ 763, 3928, 769, 640 ], [ 763, 3928, 3981, 1100 ], [ 3656, 4036, 3241, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 3444, 711 ], [ 1528, 1604, 187, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2331, 2467, 2920 ], [ 763, 2331, 267, 711 ], [ 1528, 1891, 3812, 711 ], [ 3656, 1918, 2413, 1974 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1893, 1974 ], [ 763, 3928, 1544, 1974 ], [ 763, 2331, 2502, 1316 ], [ 1528, 4003, 2502, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 3965, 2413 ], [ 3656, 1592, 285, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 2388, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 285, 3546 ], [ 1528, 2985, 4028, 1974 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2331, 2472, 2215 ], [ 763, 3928, 1206, 1974 ], [ 3656, 4036, 1955, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 389, 711 ], [ 1528, 3278, 4048, 803 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]
10003607	Complexity	[ [ -3.7830989360809326, -2.1148507595062256, -1.5317367315292358 ], [ -3.7307920455932617, -1.7093316316604614, -0.03171603009104729 ], [ -5.163683891296387, -1.6678316593170166, 0.4986501634120941 ], [ -5.677518844604492, -0.280436635017395, 0.11366845667362213 ], [ -4.453707218170166, 0.568996787071228, -0.3663983643054962 ], [ -3.25376296043396, -0.23942723870277405, 0.23805509507656097 ], [ -1.7699131965637207, -0.0706326961517334, -0.21610957384109497 ], [ -1.165407419204712, 1.3167864084243774, 0.036989908665418625 ], [ 0.2411579042673111, 1.4782413244247437, -0.5481730699539185 ], [ 1.2323634624481201, 0.41800475120544434, -0.026267237961292267 ], [ 2.7562427520751953, 0.6677990555763245, -0.4229675829410553 ], [ 3.1959218978881836, 2.0668787956237793, 0.11167144775390625 ], [ 4.703491687774658, 2.3100192546844482, 0.07893720269203186 ], [ 5.484330654144287, 1.222872018814087, 0.8087747097015381 ], [ 5.17087459564209, -0.2166859656572342, 0.3067752420902252 ], [ 3.6107773780822754, -0.4213635325431824, 0.33186617493629456 ], [ 3.1379358768463135, -1.8461639881134033, -0.018080497160553932 ], [ 1.6704137325286865, -2.060481071472168, 0.3728621006011963 ], [ 0.6727838516235352, -1.044197916984558, -0.2498232126235962 ], [ -0.8014906644821167, -1.162253499031067, 0.4408737123012543 ], [ -1.3948493003845215, -2.60026478767395, 0.28894683718681335 ], [ -2.8579351902008057, -2.7137885093688965, 0.7235528826713562 ], [ -0.7123678922653198, -0.9366335272789001, 1.9928158521652222 ], [ 0.5711207389831543, -1.3850916624069214, -1.76735258102417 ], [ 5.848930835723877, -1.202484130859375, 1.2989826202392578 ], [ 5.815692901611328, -0.48882949352264404, -1.0672825574874878 ], [ 6.878629684448242, 1.503385066986084, 0.6894853711128235 ], [ 2.9624478816986084, 0.67421555519104, -1.956244945526123 ], [ -4.6917500495910645, 2.086909055709839, -0.08605359494686127 ], [ -4.209738731384277, 2.5469021797180176, 1.2884340286254883 ], [ -4.169239521026611, 2.970796585083008, -1.2290736436843872 ], [ -6.117856502532959, 2.3289408683776855, -0.10406193137168884 ] ]	C[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(C)(C)O	Could you give me the Complexity value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 771.00.	[ [ 188, 2978, 969, 3863 ], [ 711, 223, 969, 3863 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2978, 1389, 1003 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 3755, 1118, 2836 ], [ 1528, 2753, 3326, 3863 ], [ 763, 2331, 3532, 2396 ], [ 763, 3928, 1682, 2396 ], [ 3656, 3298, 1376, 803 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 758, 640 ], [ 763, 3928, 769, 640 ], [ 763, 3928, 3981, 1100 ], [ 3656, 4036, 3241, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 3444, 711 ], [ 1528, 1604, 187, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2331, 2467, 2920 ], [ 763, 2331, 267, 711 ], [ 1528, 1891, 3812, 711 ], [ 3656, 1918, 2413, 1974 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1893, 1974 ], [ 763, 3928, 1544, 1974 ], [ 763, 2331, 2502, 1316 ], [ 1528, 4003, 2502, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 3965, 2413 ], [ 3656, 1592, 285, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 2388, 3546 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 285, 3546 ], [ 1528, 2985, 4028, 1974 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2331, 2472, 2215 ], [ 763, 3928, 1206, 1974 ], [ 3656, 4036, 1955, 711 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 389, 711 ], [ 1528, 3278, 4048, 803 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]
10005842	Molecular Weight	[ [ 7.982066631317139, -1.9768924713134766, 0.7160807847976685 ], [ 6.997992992401123, -1.0549964904785156, 0.25162065029144287 ], [ 7.07557487487793, -0.7925209999084473, -1.1037921905517578 ], [ 6.189785480499268, 0.12834548950195312, -1.6660270690917969 ], [ 6.298870086669922, 0.3580207824707031, -3.0461204051971436 ], [ 7.255555629730225, -0.3172002136707306, -3.7982194423675537 ], [ 8.084366798400879, -1.2094876766204834, -3.1455743312835693 ], [ 8.016347885131836, -1.4612590074539185, -1.8212049007415771 ], [ 5.135802745819092, 0.8815921545028687, -0.9240736961364746 ], [ 4.387845993041992, 1.6383838653564453, -1.5382847785949707 ], [ 5.039641380310059, 0.6899933815002441, 0.43455442786216736 ], [ 4.030252456665039, 1.3186869621276855, 1.2614129781723022 ], [ 2.925293445587158, 0.33819422125816345, 1.660860300064087 ], [ 2.040696620941162, -0.17352008819580078, 0.4991593658924103 ], [ 1.0619940757751465, -1.2564692497253418, 1.0142714977264404 ], [ -0.40361645817756653, -0.8141787052154541, 1.014600396156311 ], [ -0.484047532081604, 0.5670753717422485, 1.5193023681640625 ], [ 0.1922127902507782, 1.5775028467178345, 0.6778460741043091 ], [ 1.2611055374145508, 0.9423772096633911, -0.21302074193954468 ], [ -1.8641175031661987, 1.0421935319900513, 2.3387632369995117 ], [ -2.3223395347595215, -0.020078029483556747, 3.198333978652954 ], [ -1.6187529563903809, 2.365401268005371, 2.8716161251068115 ], [ -2.9527337551116943, 1.2894519567489624, 1.1256203651428223 ], [ -3.6367809772491455, 0.30843979120254517, 0.43206697702407837 ], [ -3.359705924987793, -0.8790638446807861, 0.46434327960014343 ], [ -4.649600028991699, 0.8266000747680664, -0.3251728415489197 ], [ -5.525824069976807, -0.016662336885929108, -1.1126338243484497 ], [ -6.614481449127197, -0.6830377578735352, -0.2661888003349304 ], [ -7.534883975982666, -1.6061557531356812, -1.1315051317214966 ], [ -8.947809219360352, -1.0477849245071411, -0.8529549837112427 ], [ -8.663124084472656, 0.4549719989299774, -0.7952737808227539 ], [ -7.637804985046387, 0.31849730014801025, 0.3364984393119812 ], [ -8.49029541015625, -0.4553651213645935, 1.3191838264465332 ], [ -9.26948070526123, -1.2810558080673218, 0.603913426399231 ] ]	COC1=C(C=CC=N1)C(=O)NCCC2CCN(CC2)S(=O)(=O)NC(=O)NCC3CC4CC3C=C4	Please provide me with the Molecular Weight value of this molecule. Determine the Molecular Weight value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 491.60 g/mol.	[ [ 188, 3693, 778, 3218 ], [ 562, 2752, 387, 3222 ], [ 2714, 1009, 4043, 3222 ], [ 2714, 1520, 2034, 3222 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2521, 1895, 2929, 3222 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2650, 3164 ], [ 2357, 2121, 2680, 3164 ], [ 3948, 2034, 2630, 2788 ], [ 3948, 3791, 2038, 2788 ], [ 1528, 1277, 2038, 2788 ], [ 763, 2331, 3891, 1661 ], [ 763, 2276, 516, 3138 ], [ 2926, 2806, 401, 3138 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3869, 810, 4000, 3236 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 537, 760 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 3698, 760 ], [ 2357, 1874, 734, 664 ], [ 2521, 2919, 1527, 664 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2066, 664 ], [ 2357, 2121, 1209, 827 ], [ 3948, 948, 213, 1861 ], [ 1528, 2342, 797, 1861 ], [ 763, 175, 3608, 3497 ], [ 1528, 1552, 2040, 720 ], [ 1738, 2239, 2040, 797 ], [ 1738, 2239, 2040, 3449 ], [ 1528, 41, 2422, 1861 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 3608, 720 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2276, 2156, 2186 ], [ 763, 2331, 1851, 1661 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1738, 561, 3485, 3141 ], [ 1738, 1527, 370, 3218 ], [ 1738, 1084, 370, 3218 ], [ 2609, 2375, 1538, 3218 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][O][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][C][=C][C][=N][Ring2][Ring1][S]
10005842	LogP	[ [ 7.982066631317139, -1.9768924713134766, 0.7160807847976685 ], [ 6.997992992401123, -1.0549964904785156, 0.25162065029144287 ], [ 7.07557487487793, -0.7925209999084473, -1.1037921905517578 ], [ 6.189785480499268, 0.12834548950195312, -1.6660270690917969 ], [ 6.298870086669922, 0.3580207824707031, -3.0461204051971436 ], [ 7.255555629730225, -0.3172002136707306, -3.7982194423675537 ], [ 8.084366798400879, -1.2094876766204834, -3.1455743312835693 ], [ 8.016347885131836, -1.4612590074539185, -1.8212049007415771 ], [ 5.135802745819092, 0.8815921545028687, -0.9240736961364746 ], [ 4.387845993041992, 1.6383838653564453, -1.5382847785949707 ], [ 5.039641380310059, 0.6899933815002441, 0.43455442786216736 ], [ 4.030252456665039, 1.3186869621276855, 1.2614129781723022 ], [ 2.925293445587158, 0.33819422125816345, 1.660860300064087 ], [ 2.040696620941162, -0.17352008819580078, 0.4991593658924103 ], [ 1.0619940757751465, -1.2564692497253418, 1.0142714977264404 ], [ -0.40361645817756653, -0.8141787052154541, 1.014600396156311 ], [ -0.484047532081604, 0.5670753717422485, 1.5193023681640625 ], [ 0.1922127902507782, 1.5775028467178345, 0.6778460741043091 ], [ 1.2611055374145508, 0.9423772096633911, -0.21302074193954468 ], [ -1.8641175031661987, 1.0421935319900513, 2.3387632369995117 ], [ -2.3223395347595215, -0.020078029483556747, 3.198333978652954 ], [ -1.6187529563903809, 2.365401268005371, 2.8716161251068115 ], [ -2.9527337551116943, 1.2894519567489624, 1.1256203651428223 ], [ -3.6367809772491455, 0.30843979120254517, 0.43206697702407837 ], [ -3.359705924987793, -0.8790638446807861, 0.46434327960014343 ], [ -4.649600028991699, 0.8266000747680664, -0.3251728415489197 ], [ -5.525824069976807, -0.016662336885929108, -1.1126338243484497 ], [ -6.614481449127197, -0.6830377578735352, -0.2661888003349304 ], [ -7.534883975982666, -1.6061557531356812, -1.1315051317214966 ], [ -8.947809219360352, -1.0477849245071411, -0.8529549837112427 ], [ -8.663124084472656, 0.4549719989299774, -0.7952737808227539 ], [ -7.637804985046387, 0.31849730014801025, 0.3364984393119812 ], [ -8.49029541015625, -0.4553651213645935, 1.3191838264465332 ], [ -9.26948070526123, -1.2810558080673218, 0.603913426399231 ] ]	COC1=C(C=CC=N1)C(=O)NCCC2CCN(CC2)S(=O)(=O)NC(=O)NCC3CC4CC3C=C4	What is the LogP of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is 1.80.	[ [ 188, 3693, 778, 3218 ], [ 562, 2752, 387, 3222 ], [ 2714, 1009, 4043, 3222 ], [ 2714, 1520, 2034, 3222 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2521, 1895, 2929, 3222 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2650, 3164 ], [ 2357, 2121, 2680, 3164 ], [ 3948, 2034, 2630, 2788 ], [ 3948, 3791, 2038, 2788 ], [ 1528, 1277, 2038, 2788 ], [ 763, 2331, 3891, 1661 ], [ 763, 2276, 516, 3138 ], [ 2926, 2806, 401, 3138 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3869, 810, 4000, 3236 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 537, 760 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 3698, 760 ], [ 2357, 1874, 734, 664 ], [ 2521, 2919, 1527, 664 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2066, 664 ], [ 2357, 2121, 1209, 827 ], [ 3948, 948, 213, 1861 ], [ 1528, 2342, 797, 1861 ], [ 763, 175, 3608, 3497 ], [ 1528, 1552, 2040, 720 ], [ 1738, 2239, 2040, 797 ], [ 1738, 2239, 2040, 3449 ], [ 1528, 41, 2422, 1861 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 3608, 720 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2276, 2156, 2186 ], [ 763, 2331, 1851, 1661 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1738, 561, 3485, 3141 ], [ 1738, 1527, 370, 3218 ], [ 1738, 1084, 370, 3218 ], [ 2609, 2375, 1538, 3218 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][O][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][C][=C][C][=N][Ring2][Ring1][S]
10005842	Topological Polar Surface Area	[ [ 7.982066631317139, -1.9768924713134766, 0.7160807847976685 ], [ 6.997992992401123, -1.0549964904785156, 0.25162065029144287 ], [ 7.07557487487793, -0.7925209999084473, -1.1037921905517578 ], [ 6.189785480499268, 0.12834548950195312, -1.6660270690917969 ], [ 6.298870086669922, 0.3580207824707031, -3.0461204051971436 ], [ 7.255555629730225, -0.3172002136707306, -3.7982194423675537 ], [ 8.084366798400879, -1.2094876766204834, -3.1455743312835693 ], [ 8.016347885131836, -1.4612590074539185, -1.8212049007415771 ], [ 5.135802745819092, 0.8815921545028687, -0.9240736961364746 ], [ 4.387845993041992, 1.6383838653564453, -1.5382847785949707 ], [ 5.039641380310059, 0.6899933815002441, 0.43455442786216736 ], [ 4.030252456665039, 1.3186869621276855, 1.2614129781723022 ], [ 2.925293445587158, 0.33819422125816345, 1.660860300064087 ], [ 2.040696620941162, -0.17352008819580078, 0.4991593658924103 ], [ 1.0619940757751465, -1.2564692497253418, 1.0142714977264404 ], [ -0.40361645817756653, -0.8141787052154541, 1.014600396156311 ], [ -0.484047532081604, 0.5670753717422485, 1.5193023681640625 ], [ 0.1922127902507782, 1.5775028467178345, 0.6778460741043091 ], [ 1.2611055374145508, 0.9423772096633911, -0.21302074193954468 ], [ -1.8641175031661987, 1.0421935319900513, 2.3387632369995117 ], [ -2.3223395347595215, -0.020078029483556747, 3.198333978652954 ], [ -1.6187529563903809, 2.365401268005371, 2.8716161251068115 ], [ -2.9527337551116943, 1.2894519567489624, 1.1256203651428223 ], [ -3.6367809772491455, 0.30843979120254517, 0.43206697702407837 ], [ -3.359705924987793, -0.8790638446807861, 0.46434327960014343 ], [ -4.649600028991699, 0.8266000747680664, -0.3251728415489197 ], [ -5.525824069976807, -0.016662336885929108, -1.1126338243484497 ], [ -6.614481449127197, -0.6830377578735352, -0.2661888003349304 ], [ -7.534883975982666, -1.6061557531356812, -1.1315051317214966 ], [ -8.947809219360352, -1.0477849245071411, -0.8529549837112427 ], [ -8.663124084472656, 0.4549719989299774, -0.7952737808227539 ], [ -7.637804985046387, 0.31849730014801025, 0.3364984393119812 ], [ -8.49029541015625, -0.4553651213645935, 1.3191838264465332 ], [ -9.26948070526123, -1.2810558080673218, 0.603913426399231 ] ]	COC1=C(C=CC=N1)C(=O)NCCC2CCN(CC2)S(=O)(=O)NC(=O)NCC3CC4CC3C=C4	What is the Topological Polar Surface Area of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 138.00 Å².	[ [ 188, 3693, 778, 3218 ], [ 562, 2752, 387, 3222 ], [ 2714, 1009, 4043, 3222 ], [ 2714, 1520, 2034, 3222 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2521, 1895, 2929, 3222 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2650, 3164 ], [ 2357, 2121, 2680, 3164 ], [ 3948, 2034, 2630, 2788 ], [ 3948, 3791, 2038, 2788 ], [ 1528, 1277, 2038, 2788 ], [ 763, 2331, 3891, 1661 ], [ 763, 2276, 516, 3138 ], [ 2926, 2806, 401, 3138 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3869, 810, 4000, 3236 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 537, 760 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 3698, 760 ], [ 2357, 1874, 734, 664 ], [ 2521, 2919, 1527, 664 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2066, 664 ], [ 2357, 2121, 1209, 827 ], [ 3948, 948, 213, 1861 ], [ 1528, 2342, 797, 1861 ], [ 763, 175, 3608, 3497 ], [ 1528, 1552, 2040, 720 ], [ 1738, 2239, 2040, 797 ], [ 1738, 2239, 2040, 3449 ], [ 1528, 41, 2422, 1861 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 3608, 720 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2276, 2156, 2186 ], [ 763, 2331, 1851, 1661 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1738, 561, 3485, 3141 ], [ 1738, 1527, 370, 3218 ], [ 1738, 1084, 370, 3218 ], [ 2609, 2375, 1538, 3218 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][O][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][C][=C][C][=N][Ring2][Ring1][S]
10005842	Complexity	[ [ 7.982066631317139, -1.9768924713134766, 0.7160807847976685 ], [ 6.997992992401123, -1.0549964904785156, 0.25162065029144287 ], [ 7.07557487487793, -0.7925209999084473, -1.1037921905517578 ], [ 6.189785480499268, 0.12834548950195312, -1.6660270690917969 ], [ 6.298870086669922, 0.3580207824707031, -3.0461204051971436 ], [ 7.255555629730225, -0.3172002136707306, -3.7982194423675537 ], [ 8.084366798400879, -1.2094876766204834, -3.1455743312835693 ], [ 8.016347885131836, -1.4612590074539185, -1.8212049007415771 ], [ 5.135802745819092, 0.8815921545028687, -0.9240736961364746 ], [ 4.387845993041992, 1.6383838653564453, -1.5382847785949707 ], [ 5.039641380310059, 0.6899933815002441, 0.43455442786216736 ], [ 4.030252456665039, 1.3186869621276855, 1.2614129781723022 ], [ 2.925293445587158, 0.33819422125816345, 1.660860300064087 ], [ 2.040696620941162, -0.17352008819580078, 0.4991593658924103 ], [ 1.0619940757751465, -1.2564692497253418, 1.0142714977264404 ], [ -0.40361645817756653, -0.8141787052154541, 1.014600396156311 ], [ -0.484047532081604, 0.5670753717422485, 1.5193023681640625 ], [ 0.1922127902507782, 1.5775028467178345, 0.6778460741043091 ], [ 1.2611055374145508, 0.9423772096633911, -0.21302074193954468 ], [ -1.8641175031661987, 1.0421935319900513, 2.3387632369995117 ], [ -2.3223395347595215, -0.020078029483556747, 3.198333978652954 ], [ -1.6187529563903809, 2.365401268005371, 2.8716161251068115 ], [ -2.9527337551116943, 1.2894519567489624, 1.1256203651428223 ], [ -3.6367809772491455, 0.30843979120254517, 0.43206697702407837 ], [ -3.359705924987793, -0.8790638446807861, 0.46434327960014343 ], [ -4.649600028991699, 0.8266000747680664, -0.3251728415489197 ], [ -5.525824069976807, -0.016662336885929108, -1.1126338243484497 ], [ -6.614481449127197, -0.6830377578735352, -0.2661888003349304 ], [ -7.534883975982666, -1.6061557531356812, -1.1315051317214966 ], [ -8.947809219360352, -1.0477849245071411, -0.8529549837112427 ], [ -8.663124084472656, 0.4549719989299774, -0.7952737808227539 ], [ -7.637804985046387, 0.31849730014801025, 0.3364984393119812 ], [ -8.49029541015625, -0.4553651213645935, 1.3191838264465332 ], [ -9.26948070526123, -1.2810558080673218, 0.603913426399231 ] ]	COC1=C(C=CC=N1)C(=O)NCCC2CCN(CC2)S(=O)(=O)NC(=O)NCC3CC4CC3C=C4	Could you give me the Complexity value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 852.00.	[ [ 188, 3693, 778, 3218 ], [ 562, 2752, 387, 3222 ], [ 2714, 1009, 4043, 3222 ], [ 2714, 1520, 2034, 3222 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2521, 1895, 2929, 3222 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2650, 3164 ], [ 2357, 2121, 2680, 3164 ], [ 3948, 2034, 2630, 2788 ], [ 3948, 3791, 2038, 2788 ], [ 1528, 1277, 2038, 2788 ], [ 763, 2331, 3891, 1661 ], [ 763, 2276, 516, 3138 ], [ 2926, 2806, 401, 3138 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3869, 810, 4000, 3236 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 537, 760 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 3698, 760 ], [ 2357, 1874, 734, 664 ], [ 2521, 2919, 1527, 664 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2066, 664 ], [ 2357, 2121, 1209, 827 ], [ 3948, 948, 213, 1861 ], [ 1528, 2342, 797, 1861 ], [ 763, 175, 3608, 3497 ], [ 1528, 1552, 2040, 720 ], [ 1738, 2239, 2040, 797 ], [ 1738, 2239, 2040, 3449 ], [ 1528, 41, 2422, 1861 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 3608, 720 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 2276, 2156, 2186 ], [ 763, 2331, 1851, 1661 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 1738, 561, 3485, 3141 ], [ 1738, 1527, 370, 3218 ], [ 1738, 1084, 370, 3218 ], [ 2609, 2375, 1538, 3218 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][O][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][C][=C][C][=N][Ring2][Ring1][S]
10006666	Molecular Weight	[ [ 3.0204598903656006, -1.0011454820632935, 0.20564720034599304 ], [ 2.1883416175842285, -1.213173747062683, -1.061222791671753 ], [ 2.2221267223358154, 0.032243404537439346, -1.9798057079315186 ], [ 3.6070122718811035, 0.34700921177864075, -2.5562877655029297 ], [ 4.446962356567383, 1.2653950452804565, -1.6877943277359009 ], [ 3.999326229095459, 1.9537036418914795, -0.7777303457260132 ], [ 5.780158996582031, 1.2705268859863281, -2.0414280891418457 ], [ 6.738853454589844, 2.1497888565063477, -1.3897279500961304 ], [ 7.031672477722168, 1.7340983152389526, 0.04044207185506821 ], [ 8.288277626037598, 2.767332077026367, 0.7646728754043579 ], [ 8.415299415588379, 2.4561610221862793, 2.170062780380249 ], [ 9.430292129516602, 2.83607816696167, -0.11683318018913269 ], [ 7.514066219329834, 4.182069778442383, 0.7021970748901367 ], [ 0.7349827289581299, -1.7283395528793335, -0.8534995317459106 ], [ 0.6684234142303467, -3.1416733264923096, -0.21599751710891724 ], [ -0.7318807244300842, -3.271064043045044, 0.40346696972846985 ], [ -1.4719572067260742, -2.011732339859009, -0.05265942960977554 ], [ -0.35100769996643066, -0.9281055331230164, -0.06605657190084457 ], [ -0.9198421239852905, 0.33148810267448425, -0.7524223327636719 ], [ -2.177222728729248, 0.8373594880104065, -0.025971919298171997 ], [ -3.2757620811462402, -0.24131789803504944, 0.15404674410820007 ], [ -2.7398557662963867, -1.595415711402893, 0.7105453014373779 ], [ -3.8548641204833984, -2.643435478210449, 0.5519652366638184 ], [ -3.628485918045044, -3.8468477725982666, 0.428471177816391 ], [ -5.284091949462891, -2.140165090560913, 0.5808175802230835 ], [ -5.36088228225708, -0.9358360171318054, 1.521841287612915 ], [ -4.550745964050293, 0.2756781280040741, 0.9488024711608887 ], [ -5.416333198547363, 1.1108472347259521, -0.039792150259017944 ], [ -6.8103814125061035, 1.4582198858261108, 0.47896406054496765 ], [ -7.583419322967529, 0.21159125864505768, 0.8883700370788574 ], [ -6.811006546020508, -0.5974081754684448, 1.9226573705673218 ], [ -7.835413455963135, -0.6043528318405151, -0.25008854269981384 ], [ -4.150731086730957, 1.1751208305358887, 2.144164800643921 ], [ -1.253667950630188, 0.06148524209856987, -2.1112051010131836 ], [ 0.12128940224647522, -0.556183934211731, 1.3613897562026978 ] ]	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	Please provide me with the Molecular Weight value of this molecule. Determine the Molecular Weight value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 513.70 g/mol.	[ [ 188, 3384, 1591, 870 ], [ 1513, 863, 1591, 2601 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 559, 473, 1105 ], [ 3948, 3720, 3031, 792 ], [ 2521, 2414, 1322, 474 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3407, 2360 ], [ 2357, 2121, 3963, 2595 ], [ 3948, 2034, 3729, 2595 ], [ 3948, 2335, 3729, 3537 ], [ 3869, 508, 4048, 818 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 305, 1545 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 4048, 1545 ], [ 2885, 1963, 4048, 818 ], [ 1528, 2392, 4020, 2403 ], [ 763, 2331, 2225, 1930 ], [ 763, 2331, 436, 3076 ], [ 1528, 1146, 2886, 3076 ], [ 1528, 1503, 3859, 3843 ], [ 2714, 2141, 3542, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 66, 3843 ], [ 763, 1885, 2417, 3843 ], [ 1528, 1686, 2417, 1610 ], [ 763, 175, 2041, 1862 ], [ 1528, 354, 2041, 1862 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 2800, 1862 ], [ 763, 2331, 3765, 1862 ], [ 763, 3928, 477, 1610 ], [ 3656, 2773, 356, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 3798, 3843 ], [ 1528, 1146, 812, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 2975, 3076 ], [ 1528, 4003, 2479, 1433 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 1788, 1433 ], [ 3656, 3568, 1277, 1433 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1771, 4027 ] ]	[C][C@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C@H1][Branch1][C][O][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]
10006666	LogP	[ [ 3.0204598903656006, -1.0011454820632935, 0.20564720034599304 ], [ 2.1883416175842285, -1.213173747062683, -1.061222791671753 ], [ 2.2221267223358154, 0.032243404537439346, -1.9798057079315186 ], [ 3.6070122718811035, 0.34700921177864075, -2.5562877655029297 ], [ 4.446962356567383, 1.2653950452804565, -1.6877943277359009 ], [ 3.999326229095459, 1.9537036418914795, -0.7777303457260132 ], [ 5.780158996582031, 1.2705268859863281, -2.0414280891418457 ], [ 6.738853454589844, 2.1497888565063477, -1.3897279500961304 ], [ 7.031672477722168, 1.7340983152389526, 0.04044207185506821 ], [ 8.288277626037598, 2.767332077026367, 0.7646728754043579 ], [ 8.415299415588379, 2.4561610221862793, 2.170062780380249 ], [ 9.430292129516602, 2.83607816696167, -0.11683318018913269 ], [ 7.514066219329834, 4.182069778442383, 0.7021970748901367 ], [ 0.7349827289581299, -1.7283395528793335, -0.8534995317459106 ], [ 0.6684234142303467, -3.1416733264923096, -0.21599751710891724 ], [ -0.7318807244300842, -3.271064043045044, 0.40346696972846985 ], [ -1.4719572067260742, -2.011732339859009, -0.05265942960977554 ], [ -0.35100769996643066, -0.9281055331230164, -0.06605657190084457 ], [ -0.9198421239852905, 0.33148810267448425, -0.7524223327636719 ], [ -2.177222728729248, 0.8373594880104065, -0.025971919298171997 ], [ -3.2757620811462402, -0.24131789803504944, 0.15404674410820007 ], [ -2.7398557662963867, -1.595415711402893, 0.7105453014373779 ], [ -3.8548641204833984, -2.643435478210449, 0.5519652366638184 ], [ -3.628485918045044, -3.8468477725982666, 0.428471177816391 ], [ -5.284091949462891, -2.140165090560913, 0.5808175802230835 ], [ -5.36088228225708, -0.9358360171318054, 1.521841287612915 ], [ -4.550745964050293, 0.2756781280040741, 0.9488024711608887 ], [ -5.416333198547363, 1.1108472347259521, -0.039792150259017944 ], [ -6.8103814125061035, 1.4582198858261108, 0.47896406054496765 ], [ -7.583419322967529, 0.21159125864505768, 0.8883700370788574 ], [ -6.811006546020508, -0.5974081754684448, 1.9226573705673218 ], [ -7.835413455963135, -0.6043528318405151, -0.25008854269981384 ], [ -4.150731086730957, 1.1751208305358887, 2.144164800643921 ], [ -1.253667950630188, 0.06148524209856987, -2.1112051010131836 ], [ 0.12128940224647522, -0.556183934211731, 1.3613897562026978 ] ]	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	Could you give me the LogP value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is 1.90.	[ [ 188, 3384, 1591, 870 ], [ 1513, 863, 1591, 2601 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 559, 473, 1105 ], [ 3948, 3720, 3031, 792 ], [ 2521, 2414, 1322, 474 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3407, 2360 ], [ 2357, 2121, 3963, 2595 ], [ 3948, 2034, 3729, 2595 ], [ 3948, 2335, 3729, 3537 ], [ 3869, 508, 4048, 818 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 305, 1545 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 4048, 1545 ], [ 2885, 1963, 4048, 818 ], [ 1528, 2392, 4020, 2403 ], [ 763, 2331, 2225, 1930 ], [ 763, 2331, 436, 3076 ], [ 1528, 1146, 2886, 3076 ], [ 1528, 1503, 3859, 3843 ], [ 2714, 2141, 3542, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 66, 3843 ], [ 763, 1885, 2417, 3843 ], [ 1528, 1686, 2417, 1610 ], [ 763, 175, 2041, 1862 ], [ 1528, 354, 2041, 1862 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 2800, 1862 ], [ 763, 2331, 3765, 1862 ], [ 763, 3928, 477, 1610 ], [ 3656, 2773, 356, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 3798, 3843 ], [ 1528, 1146, 812, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 2975, 3076 ], [ 1528, 4003, 2479, 1433 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 1788, 1433 ], [ 3656, 3568, 1277, 1433 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1771, 4027 ] ]	[C][C@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C@H1][Branch1][C][O][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]
10006666	Topological Polar Surface Area	[ [ 3.0204598903656006, -1.0011454820632935, 0.20564720034599304 ], [ 2.1883416175842285, -1.213173747062683, -1.061222791671753 ], [ 2.2221267223358154, 0.032243404537439346, -1.9798057079315186 ], [ 3.6070122718811035, 0.34700921177864075, -2.5562877655029297 ], [ 4.446962356567383, 1.2653950452804565, -1.6877943277359009 ], [ 3.999326229095459, 1.9537036418914795, -0.7777303457260132 ], [ 5.780158996582031, 1.2705268859863281, -2.0414280891418457 ], [ 6.738853454589844, 2.1497888565063477, -1.3897279500961304 ], [ 7.031672477722168, 1.7340983152389526, 0.04044207185506821 ], [ 8.288277626037598, 2.767332077026367, 0.7646728754043579 ], [ 8.415299415588379, 2.4561610221862793, 2.170062780380249 ], [ 9.430292129516602, 2.83607816696167, -0.11683318018913269 ], [ 7.514066219329834, 4.182069778442383, 0.7021970748901367 ], [ 0.7349827289581299, -1.7283395528793335, -0.8534995317459106 ], [ 0.6684234142303467, -3.1416733264923096, -0.21599751710891724 ], [ -0.7318807244300842, -3.271064043045044, 0.40346696972846985 ], [ -1.4719572067260742, -2.011732339859009, -0.05265942960977554 ], [ -0.35100769996643066, -0.9281055331230164, -0.06605657190084457 ], [ -0.9198421239852905, 0.33148810267448425, -0.7524223327636719 ], [ -2.177222728729248, 0.8373594880104065, -0.025971919298171997 ], [ -3.2757620811462402, -0.24131789803504944, 0.15404674410820007 ], [ -2.7398557662963867, -1.595415711402893, 0.7105453014373779 ], [ -3.8548641204833984, -2.643435478210449, 0.5519652366638184 ], [ -3.628485918045044, -3.8468477725982666, 0.428471177816391 ], [ -5.284091949462891, -2.140165090560913, 0.5808175802230835 ], [ -5.36088228225708, -0.9358360171318054, 1.521841287612915 ], [ -4.550745964050293, 0.2756781280040741, 0.9488024711608887 ], [ -5.416333198547363, 1.1108472347259521, -0.039792150259017944 ], [ -6.8103814125061035, 1.4582198858261108, 0.47896406054496765 ], [ -7.583419322967529, 0.21159125864505768, 0.8883700370788574 ], [ -6.811006546020508, -0.5974081754684448, 1.9226573705673218 ], [ -7.835413455963135, -0.6043528318405151, -0.25008854269981384 ], [ -4.150731086730957, 1.1751208305358887, 2.144164800643921 ], [ -1.253667950630188, 0.06148524209856987, -2.1112051010131836 ], [ 0.12128940224647522, -0.556183934211731, 1.3613897562026978 ] ]	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	I would like to know the Topological Polar Surface Area of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 149.00 Å².	[ [ 188, 3384, 1591, 870 ], [ 1513, 863, 1591, 2601 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 559, 473, 1105 ], [ 3948, 3720, 3031, 792 ], [ 2521, 2414, 1322, 474 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3407, 2360 ], [ 2357, 2121, 3963, 2595 ], [ 3948, 2034, 3729, 2595 ], [ 3948, 2335, 3729, 3537 ], [ 3869, 508, 4048, 818 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 305, 1545 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 4048, 1545 ], [ 2885, 1963, 4048, 818 ], [ 1528, 2392, 4020, 2403 ], [ 763, 2331, 2225, 1930 ], [ 763, 2331, 436, 3076 ], [ 1528, 1146, 2886, 3076 ], [ 1528, 1503, 3859, 3843 ], [ 2714, 2141, 3542, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 66, 3843 ], [ 763, 1885, 2417, 3843 ], [ 1528, 1686, 2417, 1610 ], [ 763, 175, 2041, 1862 ], [ 1528, 354, 2041, 1862 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 2800, 1862 ], [ 763, 2331, 3765, 1862 ], [ 763, 3928, 477, 1610 ], [ 3656, 2773, 356, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 3798, 3843 ], [ 1528, 1146, 812, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 2975, 3076 ], [ 1528, 4003, 2479, 1433 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 1788, 1433 ], [ 3656, 3568, 1277, 1433 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1771, 4027 ] ]	[C][C@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C@H1][Branch1][C][O][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]
10006666	Complexity	[ [ 3.0204598903656006, -1.0011454820632935, 0.20564720034599304 ], [ 2.1883416175842285, -1.213173747062683, -1.061222791671753 ], [ 2.2221267223358154, 0.032243404537439346, -1.9798057079315186 ], [ 3.6070122718811035, 0.34700921177864075, -2.5562877655029297 ], [ 4.446962356567383, 1.2653950452804565, -1.6877943277359009 ], [ 3.999326229095459, 1.9537036418914795, -0.7777303457260132 ], [ 5.780158996582031, 1.2705268859863281, -2.0414280891418457 ], [ 6.738853454589844, 2.1497888565063477, -1.3897279500961304 ], [ 7.031672477722168, 1.7340983152389526, 0.04044207185506821 ], [ 8.288277626037598, 2.767332077026367, 0.7646728754043579 ], [ 8.415299415588379, 2.4561610221862793, 2.170062780380249 ], [ 9.430292129516602, 2.83607816696167, -0.11683318018913269 ], [ 7.514066219329834, 4.182069778442383, 0.7021970748901367 ], [ 0.7349827289581299, -1.7283395528793335, -0.8534995317459106 ], [ 0.6684234142303467, -3.1416733264923096, -0.21599751710891724 ], [ -0.7318807244300842, -3.271064043045044, 0.40346696972846985 ], [ -1.4719572067260742, -2.011732339859009, -0.05265942960977554 ], [ -0.35100769996643066, -0.9281055331230164, -0.06605657190084457 ], [ -0.9198421239852905, 0.33148810267448425, -0.7524223327636719 ], [ -2.177222728729248, 0.8373594880104065, -0.025971919298171997 ], [ -3.2757620811462402, -0.24131789803504944, 0.15404674410820007 ], [ -2.7398557662963867, -1.595415711402893, 0.7105453014373779 ], [ -3.8548641204833984, -2.643435478210449, 0.5519652366638184 ], [ -3.628485918045044, -3.8468477725982666, 0.428471177816391 ], [ -5.284091949462891, -2.140165090560913, 0.5808175802230835 ], [ -5.36088228225708, -0.9358360171318054, 1.521841287612915 ], [ -4.550745964050293, 0.2756781280040741, 0.9488024711608887 ], [ -5.416333198547363, 1.1108472347259521, -0.039792150259017944 ], [ -6.8103814125061035, 1.4582198858261108, 0.47896406054496765 ], [ -7.583419322967529, 0.21159125864505768, 0.8883700370788574 ], [ -6.811006546020508, -0.5974081754684448, 1.9226573705673218 ], [ -7.835413455963135, -0.6043528318405151, -0.25008854269981384 ], [ -4.150731086730957, 1.1751208305358887, 2.144164800643921 ], [ -1.253667950630188, 0.06148524209856987, -2.1112051010131836 ], [ 0.12128940224647522, -0.556183934211731, 1.3613897562026978 ] ]	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	Please provide me with the Complexity value of this molecule. Determine the Complexity value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 933.00.	[ [ 188, 3384, 1591, 870 ], [ 1513, 863, 1591, 2601 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 559, 473, 1105 ], [ 3948, 3720, 3031, 792 ], [ 2521, 2414, 1322, 474 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3407, 2360 ], [ 2357, 2121, 3963, 2595 ], [ 3948, 2034, 3729, 2595 ], [ 3948, 2335, 3729, 3537 ], [ 3869, 508, 4048, 818 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 305, 1545 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 2146, 4048, 1545 ], [ 2885, 1963, 4048, 818 ], [ 1528, 2392, 4020, 2403 ], [ 763, 2331, 2225, 1930 ], [ 763, 2331, 436, 3076 ], [ 1528, 1146, 2886, 3076 ], [ 1528, 1503, 3859, 3843 ], [ 2714, 2141, 3542, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 66, 3843 ], [ 763, 1885, 2417, 3843 ], [ 1528, 1686, 2417, 1610 ], [ 763, 175, 2041, 1862 ], [ 1528, 354, 2041, 1862 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 2800, 1862 ], [ 763, 2331, 3765, 1862 ], [ 763, 3928, 477, 1610 ], [ 3656, 2773, 356, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 3798, 3843 ], [ 1528, 1146, 812, 3843 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 2975, 3076 ], [ 1528, 4003, 2479, 1433 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 1788, 1433 ], [ 3656, 3568, 1277, 1433 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1771, 4027 ] ]	[C][C@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C@H1][Branch1][C][O][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]
10007338	Molecular Weight	[ [ 5.707100868225098, -2.2475857734680176, -0.23015040159225464 ], [ 6.011314868927002, -1.4028186798095703, 0.9778960943222046 ], [ 5.384039402008057, -0.2518532872200012, 1.300575613975525 ], [ 4.267423152923584, 0.4525160491466522, 0.5915912389755249 ], [ 3.245159387588501, 0.6344889402389526, 1.5568784475326538 ], [ 2.0991616249084473, 1.3136019706726074, 1.0412263870239258 ], [ 2.3409018516540527, 2.023925304412842, -0.3083595633506775 ], [ 3.7888426780700684, 2.5907304286956787, -0.3710983395576477 ], [ 4.779273986816406, 1.7111878395080566, 0.17577673494815826 ], [ 3.8784115314483643, 3.891939878463745, 0.44525814056396484 ], [ 4.221889019012451, 2.8924455642700195, -1.8150190114974976 ], [ 2.138066053390503, 1.102023720741272, -1.4011632204055786 ], [ 0.7565430402755737, 0.7389956712722778, -1.5228639841079712 ], [ 0.5606440305709839, -0.028434328734874725, -2.8148539066314697 ], [ -0.8968051671981812, -0.452443391084671, -2.8848915100097656 ], [ -1.2546436786651611, -1.5290857553482056, -1.8082436323165894 ], [ -2.786968946456909, -1.4674643278121948, -1.4429038763046265 ], [ -3.204296350479126, -2.6448235511779785, -0.42317068576812744 ], [ -2.0533370971679688, -3.084568738937378, 0.5024913549423218 ], [ -1.0221796035766602, -1.9918404817581177, 0.7875452041625977 ], [ -0.32269492745399475, -1.4282824993133545, -0.5065175294876099 ], [ 0.29319730401039124, -0.025659337639808655, -0.3110370635986328 ], [ 0.9705245494842529, 0.3294413089752197, 1.0035111904144287 ], [ -0.3204558193683624, 0.8407977819442749, 0.6618639826774597 ], [ 0.8262038230895996, -2.290349006652832, -0.7166271805763245 ], [ 0.002441972494125366, -2.5471649169921875, 1.6465625762939453 ], [ -4.398640155792236, -2.0648579597473145, 0.43509453535079956 ], [ -4.11486291885376, -0.6179566383361816, 0.3972368836402893 ], [ -3.2326066493988037, -0.2996937036514282, -0.5998523235321045 ], [ -3.0185205936431885, 1.0385137796401978, -0.5676904916763306 ], [ -3.719601631164551, 1.5785751342773438, 0.5008875131607056 ], [ -3.756361961364746, 2.8909595012664795, 0.9842838048934937 ], [ -4.5628252029418945, 3.153438091278076, 2.0971755981445312 ], [ -5.317437648773193, 2.14906644821167, 2.691904067993164 ], [ -5.278927803039551, 0.8391060829162598, 2.2071120738983154 ], [ -4.451727867126465, 0.547580361366272, 1.105002760887146 ], [ -3.7238035202026367, -1.526451587677002, -2.679100513458252 ], [ -0.9633773565292358, -2.887275218963623, -2.550307273864746 ], [ 7.1289381980896, -1.9307283163070679, 1.843976378440857 ] ]	CC(=CC1OC2C(C(O1)(C)C)OC3CCC4(C5(C(CC(C4(C36C2O6)O)O)CC7=C5NC8=CC=CC=C78)C)C)C	Please provide the Molecular Weight value for this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 535.70 g/mol.	[ [ 188, 1036, 2000, 3613 ], [ 2521, 3110, 2000, 1113 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1036, 2956, 3606 ], [ 31, 3694, 3962, 3165 ], [ 1528, 1194, 3606, 3065 ], [ 3542, 1722, 3214, 3279 ], [ 1528, 3195, 417, 3279 ], [ 1528, 3532, 417, 3065 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3542, 1722, 3483, 3279 ], [ 1528, 870, 696, 1715 ], [ 763, 2331, 2628, 4037 ], [ 763, 3928, 3199, 2896 ], [ 3656, 655, 4027, 2896 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1982, 2534 ], [ 3656, 1229, 93, 1450 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1699, 2534 ], [ 2714, 2474, 1188, 1450 ], [ 2714, 575, 3065, 2534 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 1885, 3808, 2534 ], [ 1528, 1686, 3159, 2534 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 3159, 1450 ], [ 1528, 2370, 1974, 1857 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 2055, 1657 ], [ 3656, 1404, 3664, 1715 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 6, 673, 4037 ], [ 3656, 2114, 3279, 1715 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3542, 2890, 3799, 1715 ], [ 1528, 1720, 539, 1715 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 664, 2838, 2534 ], [ 1738, 561, 1819, 2206 ], [ 1738, 1527, 1760, 2206 ], [ 1738, 1527, 1760, 2534 ], [ 1738, 561, 1846, 2534 ], [ 2714, 1828, 86, 1450 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2793, 3795, 1188, 1450 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3656, 185, 2160, 3338 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1820, 255 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1662, 255 ], [ 3542, 3283, 3249, 255 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C][Branch1][C][C][=C][C][O][C][C][Branch2][Branch1][#Branch1][O][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][N][Branch1][C][O][C][Ring1][P][O][C][Ring2][Ring1][=Branch1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][Ring1]
10007338	LogP	[ [ 5.707100868225098, -2.2475857734680176, -0.23015040159225464 ], [ 6.011314868927002, -1.4028186798095703, 0.9778960943222046 ], [ 5.384039402008057, -0.2518532872200012, 1.300575613975525 ], [ 4.267423152923584, 0.4525160491466522, 0.5915912389755249 ], [ 3.245159387588501, 0.6344889402389526, 1.5568784475326538 ], [ 2.0991616249084473, 1.3136019706726074, 1.0412263870239258 ], [ 2.3409018516540527, 2.023925304412842, -0.3083595633506775 ], [ 3.7888426780700684, 2.5907304286956787, -0.3710983395576477 ], [ 4.779273986816406, 1.7111878395080566, 0.17577673494815826 ], [ 3.8784115314483643, 3.891939878463745, 0.44525814056396484 ], [ 4.221889019012451, 2.8924455642700195, -1.8150190114974976 ], [ 2.138066053390503, 1.102023720741272, -1.4011632204055786 ], [ 0.7565430402755737, 0.7389956712722778, -1.5228639841079712 ], [ 0.5606440305709839, -0.028434328734874725, -2.8148539066314697 ], [ -0.8968051671981812, -0.452443391084671, -2.8848915100097656 ], [ -1.2546436786651611, -1.5290857553482056, -1.8082436323165894 ], [ -2.786968946456909, -1.4674643278121948, -1.4429038763046265 ], [ -3.204296350479126, -2.6448235511779785, -0.42317068576812744 ], [ -2.0533370971679688, -3.084568738937378, 0.5024913549423218 ], [ -1.0221796035766602, -1.9918404817581177, 0.7875452041625977 ], [ -0.32269492745399475, -1.4282824993133545, -0.5065175294876099 ], [ 0.29319730401039124, -0.025659337639808655, -0.3110370635986328 ], [ 0.9705245494842529, 0.3294413089752197, 1.0035111904144287 ], [ -0.3204558193683624, 0.8407977819442749, 0.6618639826774597 ], [ 0.8262038230895996, -2.290349006652832, -0.7166271805763245 ], [ 0.002441972494125366, -2.5471649169921875, 1.6465625762939453 ], [ -4.398640155792236, -2.0648579597473145, 0.43509453535079956 ], [ -4.11486291885376, -0.6179566383361816, 0.3972368836402893 ], [ -3.2326066493988037, -0.2996937036514282, -0.5998523235321045 ], [ -3.0185205936431885, 1.0385137796401978, -0.5676904916763306 ], [ -3.719601631164551, 1.5785751342773438, 0.5008875131607056 ], [ -3.756361961364746, 2.8909595012664795, 0.9842838048934937 ], [ -4.5628252029418945, 3.153438091278076, 2.0971755981445312 ], [ -5.317437648773193, 2.14906644821167, 2.691904067993164 ], [ -5.278927803039551, 0.8391060829162598, 2.2071120738983154 ], [ -4.451727867126465, 0.547580361366272, 1.105002760887146 ], [ -3.7238035202026367, -1.526451587677002, -2.679100513458252 ], [ -0.9633773565292358, -2.887275218963623, -2.550307273864746 ], [ 7.1289381980896, -1.9307283163070679, 1.843976378440857 ] ]	CC(=CC1OC2C(C(O1)(C)C)OC3CCC4(C5(C(CC(C4(C36C2O6)O)O)CC7=C5NC8=CC=CC=C78)C)C)C	I would like to know the LogP of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is 4.00.	[ [ 188, 1036, 2000, 3613 ], [ 2521, 3110, 2000, 1113 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1036, 2956, 3606 ], [ 31, 3694, 3962, 3165 ], [ 1528, 1194, 3606, 3065 ], [ 3542, 1722, 3214, 3279 ], [ 1528, 3195, 417, 3279 ], [ 1528, 3532, 417, 3065 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3542, 1722, 3483, 3279 ], [ 1528, 870, 696, 1715 ], [ 763, 2331, 2628, 4037 ], [ 763, 3928, 3199, 2896 ], [ 3656, 655, 4027, 2896 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1982, 2534 ], [ 3656, 1229, 93, 1450 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1699, 2534 ], [ 2714, 2474, 1188, 1450 ], [ 2714, 575, 3065, 2534 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 1885, 3808, 2534 ], [ 1528, 1686, 3159, 2534 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 763, 175, 3159, 1450 ], [ 1528, 2370, 1974, 1857 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 2055, 1657 ], [ 3656, 1404, 3664, 1715 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 6, 673, 4037 ], [ 3656, 2114, 3279, 1715 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3542, 2890, 3799, 1715 ], [ 1528, 1720, 539, 1715 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 664, 2838, 2534 ], [ 1738, 561, 1819, 2206 ], [ 1738, 1527, 1760, 2206 ], [ 1738, 1527, 1760, 2534 ], [ 1738, 561, 1846, 2534 ], [ 2714, 1828, 86, 1450 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2793, 3795, 1188, 1450 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3656, 185, 2160, 3338 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1820, 255 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1643, 1662, 255 ], [ 3542, 3283, 3249, 255 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C][Branch1][C][C][=C][C][O][C][C][Branch2][Branch1][#Branch1][O][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][N][Branch1][C][O][C][Ring1][P][O][C][Ring2][Ring1][=Branch1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][Ring1]
10007338	Topological Polar Surface Area	[ [ 5.707100868225098, -2.2475857734680176, -0.23015040159225464 ], [ 6.011314868927002, -1.4028186798095703, 0.9778960943222046 ], [ 5.384039402008057, -0.2518532872200012, 1.300575613975525 ], [ 4.267423152923584, 0.4525160491466522, 0.5915912389755249 ], [ 3.245159387588501, 0.6344889402389526, 1.5568784475326538 ], [ 2.0991616249084473, 1.3136019706726074, 1.0412263870239258 ], [ 2.3409018516540527, 2.023925304412842, -0.3083595633506775 ], [ 3.7888426780700684, 2.5907304286956787, -0.3710983395576477 ], [ 4.779273986816406, 1.7111878395080566, 0.17577673494815826 ], [ 3.8784115314483643, 3.891939878463745, 0.44525814056396484 ], [ 4.221889019012451, 2.8924455642700195, -1.8150190114974976 ], [ 2.138066053390503, 1.102023720741272, -1.4011632204055786 ], [ 0.7565430402755737, 0.7389956712722778, -1.5228639841079712 ], [ 0.5606440305709839, -0.028434328734874725, -2.8148539066314697 ], [ -0.8968051671981812, -0.452443391084671, -2.8848915100097656 ], [ -1.2546436786651611, -1.5290857553482056, -1.8082436323165894 ], [ -2.786968946456909, -1.4674643278121948, -1.4429038763046265 ], [ -3.204296350479126, -2.6448235511779785, -0.42317068576812744 ], [ -2.0533370971679688, -3.084568738937378, 0.5024913549423218 ], [ -1.0221796035766602, -1.9918404817581177, 0.7875452041625977 ], [ -0.32269492745399475, -1.4282824993133545, -0.5065175294876099 ], [ 0.29319730401039124, -0.025659337639808655, -0.3110370635986328 ], [ 0.9705245494842529, 0.3294413089752197, 1.0035111904144287 ], [ -0.3204558193683624, 0.8407977819442749, 0.6618639826774597 ], [ 0.8262038230895996, -2.290349006652832, -0.7166271805763245 ], [ 0.002441972494125366, -2.5471649169921875, 1.6465625762939453 ], [ -4.398640155792236, -2.0648579597473145, 0.43509453535079956 ], [ -4.11486291885376, -0.6179566383361816, 0.3972368836402893 ], [ -3.2326066493988037, -0.2996937036514282, -0.5998523235321045 ], [ -3.0185205936431885, 1.0385137796401978, -0.5676904916763306 ], [ -3.719601631164551, 1.5785751342773438, 0.5008875131607056 ], [ -3.756361961364746, 2.8909595012664795, 0.9842838048934937 ], [ -4.5628252029418945, 3.153438091278076, 2.0971755981445312 ], [ -5.317437648773193, 2.14906644821167, 2.691904067993164 ], [ -5.278927803039551, 0.8391060829162598, 2.2071120738983154 ], [ -4.451727867126465, 0.547580361366272, 1.105002760887146 ], [ -3.7238035202026367, -1.526451587677002, -2.679100513458252 ], [ -0.9633773565292358, -2.887275218963623, -2.550307273864746 ], [ 7.1289381980896, -1.9307283163070679, 1.843976378440857 ] ]	CC(=CC1OC2C(C(O1)(C)C)OC3CCC4(C5(C(CC(C4(C36C2O6)O)O)CC7=C5NC8=CC=CC=C78)C)C)C	I would like to know the Topological Polar Surface Area of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 96.50 Å².	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10007338	Complexity	[ [ 5.707100868225098, -2.2475857734680176, -0.23015040159225464 ], [ 6.011314868927002, -1.4028186798095703, 0.9778960943222046 ], [ 5.384039402008057, -0.2518532872200012, 1.300575613975525 ], [ 4.267423152923584, 0.4525160491466522, 0.5915912389755249 ], [ 3.245159387588501, 0.6344889402389526, 1.5568784475326538 ], [ 2.0991616249084473, 1.3136019706726074, 1.0412263870239258 ], [ 2.3409018516540527, 2.023925304412842, -0.3083595633506775 ], [ 3.7888426780700684, 2.5907304286956787, -0.3710983395576477 ], [ 4.779273986816406, 1.7111878395080566, 0.17577673494815826 ], [ 3.8784115314483643, 3.891939878463745, 0.44525814056396484 ], [ 4.221889019012451, 2.8924455642700195, -1.8150190114974976 ], [ 2.138066053390503, 1.102023720741272, -1.4011632204055786 ], [ 0.7565430402755737, 0.7389956712722778, -1.5228639841079712 ], [ 0.5606440305709839, -0.028434328734874725, -2.8148539066314697 ], [ -0.8968051671981812, -0.452443391084671, -2.8848915100097656 ], [ -1.2546436786651611, -1.5290857553482056, -1.8082436323165894 ], [ -2.786968946456909, -1.4674643278121948, -1.4429038763046265 ], [ -3.204296350479126, -2.6448235511779785, -0.42317068576812744 ], [ -2.0533370971679688, -3.084568738937378, 0.5024913549423218 ], [ -1.0221796035766602, -1.9918404817581177, 0.7875452041625977 ], [ -0.32269492745399475, -1.4282824993133545, -0.5065175294876099 ], [ 0.29319730401039124, -0.025659337639808655, -0.3110370635986328 ], [ 0.9705245494842529, 0.3294413089752197, 1.0035111904144287 ], [ -0.3204558193683624, 0.8407977819442749, 0.6618639826774597 ], [ 0.8262038230895996, -2.290349006652832, -0.7166271805763245 ], [ 0.002441972494125366, -2.5471649169921875, 1.6465625762939453 ], [ -4.398640155792236, -2.0648579597473145, 0.43509453535079956 ], [ -4.11486291885376, -0.6179566383361816, 0.3972368836402893 ], [ -3.2326066493988037, -0.2996937036514282, -0.5998523235321045 ], [ -3.0185205936431885, 1.0385137796401978, -0.5676904916763306 ], [ -3.719601631164551, 1.5785751342773438, 0.5008875131607056 ], [ -3.756361961364746, 2.8909595012664795, 0.9842838048934937 ], [ -4.5628252029418945, 3.153438091278076, 2.0971755981445312 ], [ -5.317437648773193, 2.14906644821167, 2.691904067993164 ], [ -5.278927803039551, 0.8391060829162598, 2.2071120738983154 ], [ -4.451727867126465, 0.547580361366272, 1.105002760887146 ], [ -3.7238035202026367, -1.526451587677002, -2.679100513458252 ], [ -0.9633773565292358, -2.887275218963623, -2.550307273864746 ], [ 7.1289381980896, -1.9307283163070679, 1.843976378440857 ] ]	CC(=CC1OC2C(C(O1)(C)C)OC3CCC4(C5(C(CC(C4(C36C2O6)O)O)CC7=C5NC8=CC=CC=C78)C)C)C	I would like to know the Complexity of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 1090.00.	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10007601	Molecular Weight	[ [ -0.6452406048774719, -0.4158511161804199, -2.641663074493408 ], [ -0.012853026390075684, -1.4551867246627808, -1.7029999494552612 ], [ -0.2747485935688019, -1.0947177410125732, -0.21152526140213013 ], [ 0.18188820779323578, 0.30255770683288574, 0.30571672320365906 ], [ 1.6545932292938232, 0.5908722281455994, -0.11479303240776062 ], [ 1.9809011220932007, 1.4131443500518799, -0.9661270380020142 ], [ 2.590304136276245, -0.19368813931941986, 0.5347755551338196 ], [ 3.972867965698242, -0.2389763742685318, 0.06652285903692245 ], [ 4.908651351928711, -0.5371791124343872, 1.2339180707931519 ], [ 4.067914962768555, -1.3263205289840698, -0.9800996780395508 ], [ 3.4646852016448975, -2.498652696609497, -0.8889320492744446 ], [ 3.763922929763794, -3.261699676513672, -2.0013010501861572 ], [ 4.572847366333008, -2.6575281620025635, -2.937783718109131 ], [ 4.994208812713623, -1.08351469039917, -2.4100964069366455 ], [ -0.8618213534355164, 1.3501014709472656, 0.12423721700906754 ], [ -0.5272312164306641, 2.5697414875030518, -0.6078811883926392 ], [ -1.9727734327316284, 1.2702053785324097, 0.9706920981407166 ], [ -2.151588201522827, 0.3053760528564453, 1.7151843309402466 ], [ -2.9872028827667236, 2.408836603164673, 0.922041118144989 ], [ -4.113279342651367, 2.2816548347473145, 1.9839121103286743 ], [ -5.439422130584717, 2.741936206817627, 1.3463435173034668 ], [ -3.7919883728027344, 3.0212557315826416, 3.3165152072906494 ], [ -5.049079895019531, 2.672358274459839, 4.559832572937012 ], [ -2.211503505706787, 2.5345680713653564, 4.018776893615723 ], [ -3.7398126125335693, 4.810266017913818, 3.0937225818634033 ], [ -0.46285155415534973, -2.9102914333343506, -2.0583837032318115 ], [ 0.2395094931125641, -4.137409210205078, -0.9427115321159363 ], [ 0.0986718088388443, -3.3672826290130615, -3.7139058113098145 ], [ -2.2495672702789307, -3.094576597213745, -2.0139880180358887 ] ]	C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	Could you give me the Molecular Weight value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 546.20 g/mol.	[ [ 188, 3384, 2696, 2635 ], [ 1513, 2630, 1295, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2357, 2074, 1131, 934 ], [ 2521, 1041, 3297, 1709 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3441, 934 ], [ 1513, 1474, 3387, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 705, 799, 1709 ], [ 1513, 1876, 3029, 934 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 3173, 1709 ], [ 711, 188, 1446, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1446, 724 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3333, 724 ], [ 52, 52, 1446, 1412 ], [ 3042, 3239, 2529, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2894, 1918, 1174 ], [ 2521, 4044, 3824, 1174 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3824, 1174 ], [ 3948, 1074, 2612, 2677 ], [ 1513, 2818, 1255, 3302 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 2036, 3516 ], [ 711, 188, 3139, 3516 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3328, 849 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1255, 3302 ], [ 52, 52, 3139, 849 ], [ 2714, 1293, 1295, 724 ], [ 2609, 2375, 536, 724 ], [ 1738, 1084, 751, 724 ], [ 1738, 3597, 751, 33 ], [ 637, 1115, 3050, 1514 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][C][=C][S][Ring1][Branch1]
10007601	LogP	[ [ -0.6452406048774719, -0.4158511161804199, -2.641663074493408 ], [ -0.012853026390075684, -1.4551867246627808, -1.7029999494552612 ], [ -0.2747485935688019, -1.0947177410125732, -0.21152526140213013 ], [ 0.18188820779323578, 0.30255770683288574, 0.30571672320365906 ], [ 1.6545932292938232, 0.5908722281455994, -0.11479303240776062 ], [ 1.9809011220932007, 1.4131443500518799, -0.9661270380020142 ], [ 2.590304136276245, -0.19368813931941986, 0.5347755551338196 ], [ 3.972867965698242, -0.2389763742685318, 0.06652285903692245 ], [ 4.908651351928711, -0.5371791124343872, 1.2339180707931519 ], [ 4.067914962768555, -1.3263205289840698, -0.9800996780395508 ], [ 3.4646852016448975, -2.498652696609497, -0.8889320492744446 ], [ 3.763922929763794, -3.261699676513672, -2.0013010501861572 ], [ 4.572847366333008, -2.6575281620025635, -2.937783718109131 ], [ 4.994208812713623, -1.08351469039917, -2.4100964069366455 ], [ -0.8618213534355164, 1.3501014709472656, 0.12423721700906754 ], [ -0.5272312164306641, 2.5697414875030518, -0.6078811883926392 ], [ -1.9727734327316284, 1.2702053785324097, 0.9706920981407166 ], [ -2.151588201522827, 0.3053760528564453, 1.7151843309402466 ], [ -2.9872028827667236, 2.408836603164673, 0.922041118144989 ], [ -4.113279342651367, 2.2816548347473145, 1.9839121103286743 ], [ -5.439422130584717, 2.741936206817627, 1.3463435173034668 ], [ -3.7919883728027344, 3.0212557315826416, 3.3165152072906494 ], [ -5.049079895019531, 2.672358274459839, 4.559832572937012 ], [ -2.211503505706787, 2.5345680713653564, 4.018776893615723 ], [ -3.7398126125335693, 4.810266017913818, 3.0937225818634033 ], [ -0.46285155415534973, -2.9102914333343506, -2.0583837032318115 ], [ 0.2395094931125641, -4.137409210205078, -0.9427115321159363 ], [ 0.0986718088388443, -3.3672826290130615, -3.7139058113098145 ], [ -2.2495672702789307, -3.094576597213745, -2.0139880180358887 ] ]	C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	Please provide me with the LogP value of this molecule. Determine the LogP value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is 5.60.	[ [ 188, 3384, 2696, 2635 ], [ 1513, 2630, 1295, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2357, 2074, 1131, 934 ], [ 2521, 1041, 3297, 1709 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3441, 934 ], [ 1513, 1474, 3387, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 705, 799, 1709 ], [ 1513, 1876, 3029, 934 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 3173, 1709 ], [ 711, 188, 1446, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1446, 724 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3333, 724 ], [ 52, 52, 1446, 1412 ], [ 3042, 3239, 2529, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2894, 1918, 1174 ], [ 2521, 4044, 3824, 1174 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3824, 1174 ], [ 3948, 1074, 2612, 2677 ], [ 1513, 2818, 1255, 3302 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 2036, 3516 ], [ 711, 188, 3139, 3516 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3328, 849 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1255, 3302 ], [ 52, 52, 3139, 849 ], [ 2714, 1293, 1295, 724 ], [ 2609, 2375, 536, 724 ], [ 1738, 1084, 751, 724 ], [ 1738, 3597, 751, 33 ], [ 637, 1115, 3050, 1514 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][C][=C][S][Ring1][Branch1]
10007601	Topological Polar Surface Area	[ [ -0.6452406048774719, -0.4158511161804199, -2.641663074493408 ], [ -0.012853026390075684, -1.4551867246627808, -1.7029999494552612 ], [ -0.2747485935688019, -1.0947177410125732, -0.21152526140213013 ], [ 0.18188820779323578, 0.30255770683288574, 0.30571672320365906 ], [ 1.6545932292938232, 0.5908722281455994, -0.11479303240776062 ], [ 1.9809011220932007, 1.4131443500518799, -0.9661270380020142 ], [ 2.590304136276245, -0.19368813931941986, 0.5347755551338196 ], [ 3.972867965698242, -0.2389763742685318, 0.06652285903692245 ], [ 4.908651351928711, -0.5371791124343872, 1.2339180707931519 ], [ 4.067914962768555, -1.3263205289840698, -0.9800996780395508 ], [ 3.4646852016448975, -2.498652696609497, -0.8889320492744446 ], [ 3.763922929763794, -3.261699676513672, -2.0013010501861572 ], [ 4.572847366333008, -2.6575281620025635, -2.937783718109131 ], [ 4.994208812713623, -1.08351469039917, -2.4100964069366455 ], [ -0.8618213534355164, 1.3501014709472656, 0.12423721700906754 ], [ -0.5272312164306641, 2.5697414875030518, -0.6078811883926392 ], [ -1.9727734327316284, 1.2702053785324097, 0.9706920981407166 ], [ -2.151588201522827, 0.3053760528564453, 1.7151843309402466 ], [ -2.9872028827667236, 2.408836603164673, 0.922041118144989 ], [ -4.113279342651367, 2.2816548347473145, 1.9839121103286743 ], [ -5.439422130584717, 2.741936206817627, 1.3463435173034668 ], [ -3.7919883728027344, 3.0212557315826416, 3.3165152072906494 ], [ -5.049079895019531, 2.672358274459839, 4.559832572937012 ], [ -2.211503505706787, 2.5345680713653564, 4.018776893615723 ], [ -3.7398126125335693, 4.810266017913818, 3.0937225818634033 ], [ -0.46285155415534973, -2.9102914333343506, -2.0583837032318115 ], [ 0.2395094931125641, -4.137409210205078, -0.9427115321159363 ], [ 0.0986718088388443, -3.3672826290130615, -3.7139058113098145 ], [ -2.2495672702789307, -3.094576597213745, -2.0139880180358887 ] ]	C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	I would like to know the Topological Polar Surface Area of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 90.50 Å².	[ [ 188, 3384, 2696, 2635 ], [ 1513, 2630, 1295, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2357, 2074, 1131, 934 ], [ 2521, 1041, 3297, 1709 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3441, 934 ], [ 1513, 1474, 3387, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 705, 799, 1709 ], [ 1513, 1876, 3029, 934 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 3173, 1709 ], [ 711, 188, 1446, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1446, 724 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3333, 724 ], [ 52, 52, 1446, 1412 ], [ 3042, 3239, 2529, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2894, 1918, 1174 ], [ 2521, 4044, 3824, 1174 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3824, 1174 ], [ 3948, 1074, 2612, 2677 ], [ 1513, 2818, 1255, 3302 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 2036, 3516 ], [ 711, 188, 3139, 3516 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3328, 849 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1255, 3302 ], [ 52, 52, 3139, 849 ], [ 2714, 1293, 1295, 724 ], [ 2609, 2375, 536, 724 ], [ 1738, 1084, 751, 724 ], [ 1738, 3597, 751, 33 ], [ 637, 1115, 3050, 1514 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][C][=C][S][Ring1][Branch1]
10007601	Complexity	[ [ -0.6452406048774719, -0.4158511161804199, -2.641663074493408 ], [ -0.012853026390075684, -1.4551867246627808, -1.7029999494552612 ], [ -0.2747485935688019, -1.0947177410125732, -0.21152526140213013 ], [ 0.18188820779323578, 0.30255770683288574, 0.30571672320365906 ], [ 1.6545932292938232, 0.5908722281455994, -0.11479303240776062 ], [ 1.9809011220932007, 1.4131443500518799, -0.9661270380020142 ], [ 2.590304136276245, -0.19368813931941986, 0.5347755551338196 ], [ 3.972867965698242, -0.2389763742685318, 0.06652285903692245 ], [ 4.908651351928711, -0.5371791124343872, 1.2339180707931519 ], [ 4.067914962768555, -1.3263205289840698, -0.9800996780395508 ], [ 3.4646852016448975, -2.498652696609497, -0.8889320492744446 ], [ 3.763922929763794, -3.261699676513672, -2.0013010501861572 ], [ 4.572847366333008, -2.6575281620025635, -2.937783718109131 ], [ 4.994208812713623, -1.08351469039917, -2.4100964069366455 ], [ -0.8618213534355164, 1.3501014709472656, 0.12423721700906754 ], [ -0.5272312164306641, 2.5697414875030518, -0.6078811883926392 ], [ -1.9727734327316284, 1.2702053785324097, 0.9706920981407166 ], [ -2.151588201522827, 0.3053760528564453, 1.7151843309402466 ], [ -2.9872028827667236, 2.408836603164673, 0.922041118144989 ], [ -4.113279342651367, 2.2816548347473145, 1.9839121103286743 ], [ -5.439422130584717, 2.741936206817627, 1.3463435173034668 ], [ -3.7919883728027344, 3.0212557315826416, 3.3165152072906494 ], [ -5.049079895019531, 2.672358274459839, 4.559832572937012 ], [ -2.211503505706787, 2.5345680713653564, 4.018776893615723 ], [ -3.7398126125335693, 4.810266017913818, 3.0937225818634033 ], [ -0.46285155415534973, -2.9102914333343506, -2.0583837032318115 ], [ 0.2395094931125641, -4.137409210205078, -0.9427115321159363 ], [ 0.0986718088388443, -3.3672826290130615, -3.7139058113098145 ], [ -2.2495672702789307, -3.094576597213745, -2.0139880180358887 ] ]	C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	I need to know the Complexity of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 572.00.	[ [ 188, 3384, 2696, 2635 ], [ 1513, 2630, 1295, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2357, 2074, 1131, 934 ], [ 2521, 1041, 3297, 1709 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3441, 934 ], [ 1513, 1474, 3387, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 705, 799, 1709 ], [ 1513, 1876, 3029, 934 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 3173, 1709 ], [ 711, 188, 1446, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1446, 724 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3333, 724 ], [ 52, 52, 1446, 1412 ], [ 3042, 3239, 2529, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2894, 1918, 1174 ], [ 2521, 4044, 3824, 1174 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3824, 1174 ], [ 3948, 1074, 2612, 2677 ], [ 1513, 2818, 1255, 3302 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 2036, 3516 ], [ 711, 188, 3139, 3516 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3328, 849 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1255, 3302 ], [ 52, 52, 3139, 849 ], [ 2714, 1293, 1295, 724 ], [ 2609, 2375, 536, 724 ], [ 1738, 1084, 751, 724 ], [ 1738, 3597, 751, 33 ], [ 637, 1115, 3050, 1514 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][C][=C][S][Ring1][Branch1]
10008	Molecular Weight	[ [ -1.6858961582183838, 0.5716069340705872, -0.04497800022363663 ], [ -1.4151222705841064, -0.7986958622932434, -0.0405692420899868 ], [ -0.09467148780822754, -1.2460649013519287, -0.005339267663657665 ], [ 0.9417750239372253, -0.31931114196777344, 0.025125157088041306 ], [ 0.6820623278617859, 1.0469080209732056, 0.021012496203184128 ], [ -0.6381857991218567, 1.494874358177185, -0.014207450672984123 ], [ 2.21003794670105, -0.7493175268173218, 0.05895630642771721 ] ]	C1=CC=C(C=C1)F	I am interested in the Molecular Weight of this molecule, could you tell me what it is? If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 96.10 g/mol.	[ [ 2408, 572, 3810, -1 ], [ 2714, 1210, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[F][C][=C][C][=C][C][=C][Ring1][=Branch1]
10008	LogP	[ [ -1.6858961582183838, 0.5716069340705872, -0.04497800022363663 ], [ -1.4151222705841064, -0.7986958622932434, -0.0405692420899868 ], [ -0.09467148780822754, -1.2460649013519287, -0.005339267663657665 ], [ 0.9417750239372253, -0.31931114196777344, 0.025125157088041306 ], [ 0.6820623278617859, 1.0469080209732056, 0.021012496203184128 ], [ -0.6381857991218567, 1.494874358177185, -0.014207450672984123 ], [ 2.21003794670105, -0.7493175268173218, 0.05895630642771721 ] ]	C1=CC=C(C=C1)F	Could you give me the LogP value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is 2.30.	[ [ 2408, 572, 3810, -1 ], [ 2714, 1210, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[F][C][=C][C][=C][C][=C][Ring1][=Branch1]
10008	Topological Polar Surface Area	[ [ -1.6858961582183838, 0.5716069340705872, -0.04497800022363663 ], [ -1.4151222705841064, -0.7986958622932434, -0.0405692420899868 ], [ -0.09467148780822754, -1.2460649013519287, -0.005339267663657665 ], [ 0.9417750239372253, -0.31931114196777344, 0.025125157088041306 ], [ 0.6820623278617859, 1.0469080209732056, 0.021012496203184128 ], [ -0.6381857991218567, 1.494874358177185, -0.014207450672984123 ], [ 2.21003794670105, -0.7493175268173218, 0.05895630642771721 ] ]	C1=CC=C(C=C1)F	I am interested in the Topological Polar Surface Area of this molecule, could you tell me what it is? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 0.00 Å².	[ [ 2408, 572, 3810, -1 ], [ 2714, 1210, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[F][C][=C][C][=C][C][=C][Ring1][=Branch1]
10008	Complexity	[ [ -1.6858961582183838, 0.5716069340705872, -0.04497800022363663 ], [ -1.4151222705841064, -0.7986958622932434, -0.0405692420899868 ], [ -0.09467148780822754, -1.2460649013519287, -0.005339267663657665 ], [ 0.9417750239372253, -0.31931114196777344, 0.025125157088041306 ], [ 0.6820623278617859, 1.0469080209732056, 0.021012496203184128 ], [ -0.6381857991218567, 1.494874358177185, -0.014207450672984123 ], [ 2.21003794670105, -0.7493175268173218, 0.05895630642771721 ] ]	C1=CC=C(C=C1)F	I would like to know the Complexity of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 46.10.	[ [ 2408, 572, 3810, -1 ], [ 2714, 1210, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]	[F][C][=C][C][=C][C][=C][Ring1][=Branch1]
10008440	Molecular Weight	[ [ 2.492323637008667, 2.192833662033081, 3.3568191528320312 ], [ 3.0751075744628906, 1.4160006046295166, 2.1995346546173096 ], [ 4.469545364379883, 1.3078367710113525, 2.120901346206665 ], [ 5.0578813552856445, 0.5734491348266602, 1.1012274026870728 ], [ 4.2721476554870605, -0.0582551509141922, 0.12720665335655212 ], [ 2.8746092319488525, 0.07764080911874771, 0.15327823162078857 ], [ 2.2530453205108643, 0.8166059851646423, 1.2006969451904297 ], [ 0.7822564840316772, 0.9628758430480957, 1.3108843564987183 ], [ -0.002552807331085205, -0.07561823725700378, 1.8489941358566284 ], [ -1.3792309761047363, 0.09392984956502914, 2.0545105934143066 ], [ -2.008084535598755, 1.268884539604187, 1.6352263689041138 ], [ -1.2524473667144775, 2.310392141342163, 1.1029568910598755 ], [ 0.12058651447296143, 2.1514008045196533, 0.935825765132904 ], [ 0.7828191518783569, 3.2221198081970215, 0.3946700692176819 ], [ -3.366849660873413, 1.4640849828720093, 1.7218835353851318 ], [ -4.056948184967041, 0.7501826286315918, 0.6723368167877197 ], [ -5.567147731781006, 0.9259066581726074, 0.9196670651435852 ], [ -6.336378574371338, 0.13301211595535278, -0.1383611559867859 ], [ -5.9029669761657715, 0.5643680095672607, -1.5448436737060547 ], [ -4.366823673248291, 0.5076188445091248, -1.6672767400741577 ], [ -3.740265369415283, 1.2691450119018555, -0.624140202999115 ], [ -3.8994452953338623, 1.0527222156524658, -3.0217814445495605 ], [ -4.2770490646362305, 0.21400116384029388, -4.10786771774292 ], [ -6.504883766174316, -0.28248172998428345, -2.5258054733276367 ], [ -7.751325607299805, 0.342510461807251, 0.018553152680397034 ], [ -5.970614433288574, 0.4670025110244751, 2.219581127166748 ], [ -2.126377582550049, -0.9704859256744385, 2.750274419784546 ], [ -2.034916877746582, -2.1252479553222656, 2.331470012664795 ], [ -2.935457944869995, -0.6067000031471252, 3.968069553375244 ], [ 0.6195324659347534, -1.2548261880874634, 2.18442440032959 ], [ 2.0865635871887207, -0.5315833687782288, -0.9611872434616089 ], [ 0.9131183624267578, -0.2400086671113968, -1.1549303531646729 ], [ 2.740509271621704, -1.4651188850402832, -1.9019256830215454 ], [ 4.125442981719971, -1.622606635093689, -1.890651822090149 ], [ 4.929006576538086, -0.8735018372535706, -0.9147820472717285 ], [ 6.155830383300781, -0.9498751163482666, -0.9621225595474243 ], [ 4.731030464172363, -2.482684373855591, -2.8186371326446533 ], [ 3.9571008682250977, -3.180248737335205, -3.7455639839172363 ], [ 2.5711090564727783, -3.028674602508545, -3.751328468322754 ], [ 1.9606173038482666, -2.1694295406341553, -2.834001302719116 ], [ 6.082287311553955, -2.687302589416504, -2.8880534172058105 ], [ 6.4272966384887695, 0.5201258063316345, 1.1242671012878418 ] ]	CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O	Could you give me the Molecular Weight value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 582.50 g/mol.	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10008440	LogP	[ [ 2.492323637008667, 2.192833662033081, 3.3568191528320312 ], [ 3.0751075744628906, 1.4160006046295166, 2.1995346546173096 ], [ 4.469545364379883, 1.3078367710113525, 2.120901346206665 ], [ 5.0578813552856445, 0.5734491348266602, 1.1012274026870728 ], [ 4.2721476554870605, -0.0582551509141922, 0.12720665335655212 ], [ 2.8746092319488525, 0.07764080911874771, 0.15327823162078857 ], [ 2.2530453205108643, 0.8166059851646423, 1.2006969451904297 ], [ 0.7822564840316772, 0.9628758430480957, 1.3108843564987183 ], [ -0.002552807331085205, -0.07561823725700378, 1.8489941358566284 ], [ -1.3792309761047363, 0.09392984956502914, 2.0545105934143066 ], [ -2.008084535598755, 1.268884539604187, 1.6352263689041138 ], [ -1.2524473667144775, 2.310392141342163, 1.1029568910598755 ], [ 0.12058651447296143, 2.1514008045196533, 0.935825765132904 ], [ 0.7828191518783569, 3.2221198081970215, 0.3946700692176819 ], [ -3.366849660873413, 1.4640849828720093, 1.7218835353851318 ], [ -4.056948184967041, 0.7501826286315918, 0.6723368167877197 ], [ -5.567147731781006, 0.9259066581726074, 0.9196670651435852 ], [ -6.336378574371338, 0.13301211595535278, -0.1383611559867859 ], [ -5.9029669761657715, 0.5643680095672607, -1.5448436737060547 ], [ -4.366823673248291, 0.5076188445091248, -1.6672767400741577 ], [ -3.740265369415283, 1.2691450119018555, -0.624140202999115 ], [ -3.8994452953338623, 1.0527222156524658, -3.0217814445495605 ], [ -4.2770490646362305, 0.21400116384029388, -4.10786771774292 ], [ -6.504883766174316, -0.28248172998428345, -2.5258054733276367 ], [ -7.751325607299805, 0.342510461807251, 0.018553152680397034 ], [ -5.970614433288574, 0.4670025110244751, 2.219581127166748 ], [ -2.126377582550049, -0.9704859256744385, 2.750274419784546 ], [ -2.034916877746582, -2.1252479553222656, 2.331470012664795 ], [ -2.935457944869995, -0.6067000031471252, 3.968069553375244 ], [ 0.6195324659347534, -1.2548261880874634, 2.18442440032959 ], [ 2.0865635871887207, -0.5315833687782288, -0.9611872434616089 ], [ 0.9131183624267578, -0.2400086671113968, -1.1549303531646729 ], [ 2.740509271621704, -1.4651188850402832, -1.9019256830215454 ], [ 4.125442981719971, -1.622606635093689, -1.890651822090149 ], [ 4.929006576538086, -0.8735018372535706, -0.9147820472717285 ], [ 6.155830383300781, -0.9498751163482666, -0.9621225595474243 ], [ 4.731030464172363, -2.482684373855591, -2.8186371326446533 ], [ 3.9571008682250977, -3.180248737335205, -3.7455639839172363 ], [ 2.5711090564727783, -3.028674602508545, -3.751328468322754 ], [ 1.9606173038482666, -2.1694295406341553, -2.834001302719116 ], [ 6.082287311553955, -2.687302589416504, -2.8880534172058105 ], [ 6.4272966384887695, 0.5201258063316345, 1.1242671012878418 ] ]	CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O	I would like to know the LogP of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is 2.10.	[ [ 188, 1036, 2440, 2993 ], [ 2521, 221, 3055, 634 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2328, 122 ], [ 2714, 247, 1432, 907 ], [ 2714, 1293, 3306, 634 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 3327, 1023, 2993 ], [ 1528, 1936, 947, 2287 ], [ 3542, 1722, 1816, 122 ], [ 1528, 907, 2083, 3103 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 2421, 4038, 3103 ], [ 2885, 2287, 1997, 1965 ], [ 1528, 2355, 2083, 3103 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 3645, 1965 ], [ 1528, 536, 3256, 3103 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 3098, 1965 ], [ 1528, 3724, 4058, 3103 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 81, 3103 ], [ 1738, 1308, 3673, 907 ], [ 2714, 3818, 1079, 907 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 669, 1290 ], [ 2714, 3785, 3468, 1350 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 3785, 3898, 502 ], [ 2714, 3785, 1131, 502 ], [ 2714, 808, 202, 502 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 3978, 1350 ], [ 2714, 744, 1355, 2873 ], [ 2714, 3785, 1355, 2773 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 808, 2075, 3219 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 1626, 2773 ], [ 2714, 3785, 2817, 2873 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 3818, 3343, 2873 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 1298, 2773 ], [ 1738, 1308, 2275, 2873 ], [ 2714, 3951, 298, 502 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 777, 308, 3182 ], [ 2714, 3818, 3573, 2773 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 2109, 3798 ], [ 1738, 561, 2100, 2773 ], [ 1738, 1527, 2100, 2773 ], [ 1738, 561, 2300, 2773 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 1430, 3753, 1350 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 2014, 2952 ] ]	[C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Branch1][C][O][C][Branch2][Ring2][Ring2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][P][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Branch1][C][O][C][=C][Ring1][=N][C][C][Branch1][C][O][=C][C][=C][Ring1][#C][=C][Ring2][Ring2][=Branch1][O]
10008440	Topological Polar Surface Area	[ [ 2.492323637008667, 2.192833662033081, 3.3568191528320312 ], [ 3.0751075744628906, 1.4160006046295166, 2.1995346546173096 ], [ 4.469545364379883, 1.3078367710113525, 2.120901346206665 ], [ 5.0578813552856445, 0.5734491348266602, 1.1012274026870728 ], [ 4.2721476554870605, -0.0582551509141922, 0.12720665335655212 ], [ 2.8746092319488525, 0.07764080911874771, 0.15327823162078857 ], [ 2.2530453205108643, 0.8166059851646423, 1.2006969451904297 ], [ 0.7822564840316772, 0.9628758430480957, 1.3108843564987183 ], [ -0.002552807331085205, -0.07561823725700378, 1.8489941358566284 ], [ -1.3792309761047363, 0.09392984956502914, 2.0545105934143066 ], [ -2.008084535598755, 1.268884539604187, 1.6352263689041138 ], [ -1.2524473667144775, 2.310392141342163, 1.1029568910598755 ], [ 0.12058651447296143, 2.1514008045196533, 0.935825765132904 ], [ 0.7828191518783569, 3.2221198081970215, 0.3946700692176819 ], [ -3.366849660873413, 1.4640849828720093, 1.7218835353851318 ], [ -4.056948184967041, 0.7501826286315918, 0.6723368167877197 ], [ -5.567147731781006, 0.9259066581726074, 0.9196670651435852 ], [ -6.336378574371338, 0.13301211595535278, -0.1383611559867859 ], [ -5.9029669761657715, 0.5643680095672607, -1.5448436737060547 ], [ -4.366823673248291, 0.5076188445091248, -1.6672767400741577 ], [ -3.740265369415283, 1.2691450119018555, -0.624140202999115 ], [ -3.8994452953338623, 1.0527222156524658, -3.0217814445495605 ], [ -4.2770490646362305, 0.21400116384029388, -4.10786771774292 ], [ -6.504883766174316, -0.28248172998428345, -2.5258054733276367 ], [ -7.751325607299805, 0.342510461807251, 0.018553152680397034 ], [ -5.970614433288574, 0.4670025110244751, 2.219581127166748 ], [ -2.126377582550049, -0.9704859256744385, 2.750274419784546 ], [ -2.034916877746582, -2.1252479553222656, 2.331470012664795 ], [ -2.935457944869995, -0.6067000031471252, 3.968069553375244 ], [ 0.6195324659347534, -1.2548261880874634, 2.18442440032959 ], [ 2.0865635871887207, -0.5315833687782288, -0.9611872434616089 ], [ 0.9131183624267578, -0.2400086671113968, -1.1549303531646729 ], [ 2.740509271621704, -1.4651188850402832, -1.9019256830215454 ], [ 4.125442981719971, -1.622606635093689, -1.890651822090149 ], [ 4.929006576538086, -0.8735018372535706, -0.9147820472717285 ], [ 6.155830383300781, -0.9498751163482666, -0.9621225595474243 ], [ 4.731030464172363, -2.482684373855591, -2.8186371326446533 ], [ 3.9571008682250977, -3.180248737335205, -3.7455639839172363 ], [ 2.5711090564727783, -3.028674602508545, -3.751328468322754 ], [ 1.9606173038482666, -2.1694295406341553, -2.834001302719116 ], [ 6.082287311553955, -2.687302589416504, -2.8880534172058105 ], [ 6.4272966384887695, 0.5201258063316345, 1.1242671012878418 ] ]	CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O	Please provide the Topological Polar Surface Area value for this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 232.00 Å².	[ [ 188, 1036, 2440, 2993 ], [ 2521, 221, 3055, 634 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2328, 122 ], [ 2714, 247, 1432, 907 ], [ 2714, 1293, 3306, 634 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 562, 3327, 1023, 2993 ], [ 1528, 1936, 947, 2287 ], [ 3542, 1722, 1816, 122 ], [ 1528, 907, 2083, 3103 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 2421, 4038, 3103 ], [ 2885, 2287, 1997, 1965 ], [ 1528, 2355, 2083, 3103 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 3645, 1965 ], [ 1528, 536, 3256, 3103 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 3098, 1965 ], [ 1528, 3724, 4058, 3103 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 2595, 81, 3103 ], [ 1738, 1308, 3673, 907 ], [ 2714, 3818, 1079, 907 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 669, 1290 ], [ 2714, 3785, 3468, 1350 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 3785, 3898, 502 ], [ 2714, 3785, 1131, 502 ], [ 2714, 808, 202, 502 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 3978, 1350 ], [ 2714, 744, 1355, 2873 ], [ 2714, 3785, 1355, 2773 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 808, 2075, 3219 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 6, 1626, 2773 ], [ 2714, 3785, 2817, 2873 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 3818, 3343, 2873 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 1298, 2773 ], [ 1738, 1308, 2275, 2873 ], [ 2714, 3951, 298, 502 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 777, 308, 3182 ], [ 2714, 3818, 3573, 2773 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 2109, 3798 ], [ 1738, 561, 2100, 2773 ], [ 1738, 1527, 2100, 2773 ], [ 1738, 561, 2300, 2773 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2714, 1430, 3753, 1350 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 4082, 2014, 2952 ] ]	[C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Branch1][C][O][C][Branch2][Ring2][Ring2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][P][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Branch1][C][O][C][=C][Ring1][=N][C][C][Branch1][C][O][=C][C][=C][Ring1][#C][=C][Ring2][Ring2][=Branch1][O]
10008440	Complexity	[ [ 2.492323637008667, 2.192833662033081, 3.3568191528320312 ], [ 3.0751075744628906, 1.4160006046295166, 2.1995346546173096 ], [ 4.469545364379883, 1.3078367710113525, 2.120901346206665 ], [ 5.0578813552856445, 0.5734491348266602, 1.1012274026870728 ], [ 4.2721476554870605, -0.0582551509141922, 0.12720665335655212 ], [ 2.8746092319488525, 0.07764080911874771, 0.15327823162078857 ], [ 2.2530453205108643, 0.8166059851646423, 1.2006969451904297 ], [ 0.7822564840316772, 0.9628758430480957, 1.3108843564987183 ], [ -0.002552807331085205, -0.07561823725700378, 1.8489941358566284 ], [ -1.3792309761047363, 0.09392984956502914, 2.0545105934143066 ], [ -2.008084535598755, 1.268884539604187, 1.6352263689041138 ], [ -1.2524473667144775, 2.310392141342163, 1.1029568910598755 ], [ 0.12058651447296143, 2.1514008045196533, 0.935825765132904 ], [ 0.7828191518783569, 3.2221198081970215, 0.3946700692176819 ], [ -3.366849660873413, 1.4640849828720093, 1.7218835353851318 ], [ -4.056948184967041, 0.7501826286315918, 0.6723368167877197 ], [ -5.567147731781006, 0.9259066581726074, 0.9196670651435852 ], [ -6.336378574371338, 0.13301211595535278, -0.1383611559867859 ], [ -5.9029669761657715, 0.5643680095672607, -1.5448436737060547 ], [ -4.366823673248291, 0.5076188445091248, -1.6672767400741577 ], [ -3.740265369415283, 1.2691450119018555, -0.624140202999115 ], [ -3.8994452953338623, 1.0527222156524658, -3.0217814445495605 ], [ -4.2770490646362305, 0.21400116384029388, -4.10786771774292 ], [ -6.504883766174316, -0.28248172998428345, -2.5258054733276367 ], [ -7.751325607299805, 0.342510461807251, 0.018553152680397034 ], [ -5.970614433288574, 0.4670025110244751, 2.219581127166748 ], [ -2.126377582550049, -0.9704859256744385, 2.750274419784546 ], [ -2.034916877746582, -2.1252479553222656, 2.331470012664795 ], [ -2.935457944869995, -0.6067000031471252, 3.968069553375244 ], [ 0.6195324659347534, -1.2548261880874634, 2.18442440032959 ], [ 2.0865635871887207, -0.5315833687782288, -0.9611872434616089 ], [ 0.9131183624267578, -0.2400086671113968, -1.1549303531646729 ], [ 2.740509271621704, -1.4651188850402832, -1.9019256830215454 ], [ 4.125442981719971, -1.622606635093689, -1.890651822090149 ], [ 4.929006576538086, -0.8735018372535706, -0.9147820472717285 ], [ 6.155830383300781, -0.9498751163482666, -0.9621225595474243 ], [ 4.731030464172363, -2.482684373855591, -2.8186371326446533 ], [ 3.9571008682250977, -3.180248737335205, -3.7455639839172363 ], [ 2.5711090564727783, -3.028674602508545, -3.751328468322754 ], [ 1.9606173038482666, -2.1694295406341553, -2.834001302719116 ], [ 6.082287311553955, -2.687302589416504, -2.8880534172058105 ], [ 6.4272966384887695, 0.5201258063316345, 1.1242671012878418 ] ]	CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O	Could you give me the Complexity value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 1040.00.	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10008613	Molecular Weight	[ [ -5.8003339767456055, 3.0272469520568848, -1.3188422918319702 ], [ -5.976484775543213, 1.5204397439956665, -1.139796257019043 ], [ -7.415720462799072, 1.2149553298950195, -0.6924697160720825 ], [ -7.67977237701416, -0.2781413793563843, -0.7097585201263428 ], [ -8.830345153808594, -0.7069715857505798, -0.8458023071289062 ], [ -6.453099250793457, -1.1975010633468628, -0.6072049736976624 ], [ -5.390871047973633, -0.5346599817276001, 0.28809794783592224 ], [ -4.991682052612305, 0.917770504951477, -0.10820470005273819 ], [ -3.4675018787384033, 0.8276381492614746, -0.4585281014442444 ], [ -2.689072847366333, 2.1211631298065186, -0.17233341932296753 ], [ -1.1709566116333008, 1.9390122890472412, 0.030718721449375153 ], [ -0.6123794913291931, 0.5219054818153381, -0.26001858711242676 ], [ 0.27933552861213684, 0.3736218810081482, -1.4909088611602783 ], [ 0.9135663509368896, 0.2197117954492569, -0.1310042142868042 ], [ 1.8152670860290527, 1.3131979703903198, 0.40121200680732727 ], [ 3.276506185531616, 1.0576996803283691, 0.08056852966547012 ], [ 3.736407995223999, -0.3147566318511963, 0.57122403383255 ], [ 2.856266975402832, -1.4653337001800537, -0.019974596798419952 ], [ 1.350642442703247, -1.1820870637893677, 0.32984402775764465 ], [ 0.37955719232559204, -2.2902376651763916, -0.13111813366413116 ], [ -1.0596857070922852, -1.935001254081726, 0.10679345577955246 ], [ -1.503260850906372, -0.6622646450996399, 0.11414387077093124 ], [ -2.9498050212860107, -0.30800729990005493, 0.5047316551208496 ], [ -4.075719356536865, -1.365267038345337, 0.3049105107784271 ], [ -4.219956874847412, -2.366823434829712, 1.3152753114700317 ], [ -2.882228136062622, 0.08295176923274994, 2.0134477615356445 ], [ 3.0922329425811768, -1.605469822883606, -1.543321967124939 ], [ 3.3121230602264404, -2.7956933975219727, 0.6289361715316772 ], [ 5.10172176361084, -0.5355848073959351, 0.19206750392913818 ], [ 6.065303325653076, -0.12136848270893097, 1.1605240106582642 ], [ 7.434293746948242, -0.7964966297149658, 0.887842059135437 ], [ 8.173604011535645, -0.16572649776935577, -0.3074283301830292 ], [ 8.128130912780762, 1.3668218851089478, -0.24778088927268982 ], [ 6.710052490234375, 1.861254334449768, 0.01772497594356537 ], [ 6.193017959594727, 1.3006324768066406, 1.2262321710586548 ], [ 8.999527931213379, 1.8394867181777954, 0.7872186899185181 ], [ 7.637845039367676, -0.6474988460540771, -1.5420193672180176 ], [ 8.260741233825684, -0.6644687056541443, 2.059494972229004 ], [ -0.5421749949455261, 2.929419994354248, -0.7919330596923828 ], [ -3.3086071014404297, 0.4785802960395813, -1.9679011106491089 ], [ -5.917724132537842, -0.45906323194503784, 1.6287693977355957 ], [ -6.77876091003418, -2.515087366104126, -0.16342851519584656 ] ]	C[C@@H]1CC(=O)[C@@H]([C@@]2([C@H]1[C@]3(C[C@@H]([C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3([C@H]2O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)O)O	Please provide the Molecular Weight value for this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 592.70 g/mol.	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10008613	LogP	[ [ -5.8003339767456055, 3.0272469520568848, -1.3188422918319702 ], [ -5.976484775543213, 1.5204397439956665, -1.139796257019043 ], [ -7.415720462799072, 1.2149553298950195, -0.6924697160720825 ], [ -7.67977237701416, -0.2781413793563843, -0.7097585201263428 ], [ -8.830345153808594, -0.7069715857505798, -0.8458023071289062 ], [ -6.453099250793457, -1.1975010633468628, -0.6072049736976624 ], [ -5.390871047973633, -0.5346599817276001, 0.28809794783592224 ], [ -4.991682052612305, 0.917770504951477, -0.10820470005273819 ], [ -3.4675018787384033, 0.8276381492614746, -0.4585281014442444 ], [ -2.689072847366333, 2.1211631298065186, -0.17233341932296753 ], [ -1.1709566116333008, 1.9390122890472412, 0.030718721449375153 ], [ -0.6123794913291931, 0.5219054818153381, -0.26001858711242676 ], [ 0.27933552861213684, 0.3736218810081482, -1.4909088611602783 ], [ 0.9135663509368896, 0.2197117954492569, -0.1310042142868042 ], [ 1.8152670860290527, 1.3131979703903198, 0.40121200680732727 ], [ 3.276506185531616, 1.0576996803283691, 0.08056852966547012 ], [ 3.736407995223999, -0.3147566318511963, 0.57122403383255 ], [ 2.856266975402832, -1.4653337001800537, -0.019974596798419952 ], [ 1.350642442703247, -1.1820870637893677, 0.32984402775764465 ], [ 0.37955719232559204, -2.2902376651763916, -0.13111813366413116 ], [ -1.0596857070922852, -1.935001254081726, 0.10679345577955246 ], [ -1.503260850906372, -0.6622646450996399, 0.11414387077093124 ], [ -2.9498050212860107, -0.30800729990005493, 0.5047316551208496 ], [ -4.075719356536865, -1.365267038345337, 0.3049105107784271 ], [ -4.219956874847412, -2.366823434829712, 1.3152753114700317 ], [ -2.882228136062622, 0.08295176923274994, 2.0134477615356445 ], [ 3.0922329425811768, -1.605469822883606, -1.543321967124939 ], [ 3.3121230602264404, -2.7956933975219727, 0.6289361715316772 ], [ 5.10172176361084, -0.5355848073959351, 0.19206750392913818 ], [ 6.065303325653076, -0.12136848270893097, 1.1605240106582642 ], [ 7.434293746948242, -0.7964966297149658, 0.887842059135437 ], [ 8.173604011535645, -0.16572649776935577, -0.3074283301830292 ], [ 8.128130912780762, 1.3668218851089478, -0.24778088927268982 ], [ 6.710052490234375, 1.861254334449768, 0.01772497594356537 ], [ 6.193017959594727, 1.3006324768066406, 1.2262321710586548 ], [ 8.999527931213379, 1.8394867181777954, 0.7872186899185181 ], [ 7.637845039367676, -0.6474988460540771, -1.5420193672180176 ], [ 8.260741233825684, -0.6644687056541443, 2.059494972229004 ], [ -0.5421749949455261, 2.929419994354248, -0.7919330596923828 ], [ -3.3086071014404297, 0.4785802960395813, -1.9679011106491089 ], [ -5.917724132537842, -0.45906323194503784, 1.6287693977355957 ], [ -6.77876091003418, -2.515087366104126, -0.16342851519584656 ] ]	C[C@@H]1CC(=O)[C@@H]([C@@]2([C@H]1[C@]3(C[C@@H]([C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3([C@H]2O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)O)O	I would like to know the LogP of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is -0.20.	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10008613	Topological Polar Surface Area	[ [ -5.8003339767456055, 3.0272469520568848, -1.3188422918319702 ], [ -5.976484775543213, 1.5204397439956665, -1.139796257019043 ], [ -7.415720462799072, 1.2149553298950195, -0.6924697160720825 ], [ -7.67977237701416, -0.2781413793563843, -0.7097585201263428 ], [ -8.830345153808594, -0.7069715857505798, -0.8458023071289062 ], [ -6.453099250793457, -1.1975010633468628, -0.6072049736976624 ], [ -5.390871047973633, -0.5346599817276001, 0.28809794783592224 ], [ -4.991682052612305, 0.917770504951477, -0.10820470005273819 ], [ -3.4675018787384033, 0.8276381492614746, -0.4585281014442444 ], [ -2.689072847366333, 2.1211631298065186, -0.17233341932296753 ], [ -1.1709566116333008, 1.9390122890472412, 0.030718721449375153 ], [ -0.6123794913291931, 0.5219054818153381, -0.26001858711242676 ], [ 0.27933552861213684, 0.3736218810081482, -1.4909088611602783 ], [ 0.9135663509368896, 0.2197117954492569, -0.1310042142868042 ], [ 1.8152670860290527, 1.3131979703903198, 0.40121200680732727 ], [ 3.276506185531616, 1.0576996803283691, 0.08056852966547012 ], [ 3.736407995223999, -0.3147566318511963, 0.57122403383255 ], [ 2.856266975402832, -1.4653337001800537, -0.019974596798419952 ], [ 1.350642442703247, -1.1820870637893677, 0.32984402775764465 ], [ 0.37955719232559204, -2.2902376651763916, -0.13111813366413116 ], [ -1.0596857070922852, -1.935001254081726, 0.10679345577955246 ], [ -1.503260850906372, -0.6622646450996399, 0.11414387077093124 ], [ -2.9498050212860107, -0.30800729990005493, 0.5047316551208496 ], [ -4.075719356536865, -1.365267038345337, 0.3049105107784271 ], [ -4.219956874847412, -2.366823434829712, 1.3152753114700317 ], [ -2.882228136062622, 0.08295176923274994, 2.0134477615356445 ], [ 3.0922329425811768, -1.605469822883606, -1.543321967124939 ], [ 3.3121230602264404, -2.7956933975219727, 0.6289361715316772 ], [ 5.10172176361084, -0.5355848073959351, 0.19206750392913818 ], [ 6.065303325653076, -0.12136848270893097, 1.1605240106582642 ], [ 7.434293746948242, -0.7964966297149658, 0.887842059135437 ], [ 8.173604011535645, -0.16572649776935577, -0.3074283301830292 ], [ 8.128130912780762, 1.3668218851089478, -0.24778088927268982 ], [ 6.710052490234375, 1.861254334449768, 0.01772497594356537 ], [ 6.193017959594727, 1.3006324768066406, 1.2262321710586548 ], [ 8.999527931213379, 1.8394867181777954, 0.7872186899185181 ], [ 7.637845039367676, -0.6474988460540771, -1.5420193672180176 ], [ 8.260741233825684, -0.6644687056541443, 2.059494972229004 ], [ -0.5421749949455261, 2.929419994354248, -0.7919330596923828 ], [ -3.3086071014404297, 0.4785802960395813, -1.9679011106491089 ], [ -5.917724132537842, -0.45906323194503784, 1.6287693977355957 ], [ -6.77876091003418, -2.515087366104126, -0.16342851519584656 ] ]	C[C@@H]1CC(=O)[C@@H]([C@@]2([C@H]1[C@]3(C[C@@H]([C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3([C@H]2O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)O)O	Could you give me the Topological Polar Surface Area value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 177.00 Å².	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10008613	Complexity	[ [ -5.8003339767456055, 3.0272469520568848, -1.3188422918319702 ], [ -5.976484775543213, 1.5204397439956665, -1.139796257019043 ], [ -7.415720462799072, 1.2149553298950195, -0.6924697160720825 ], [ -7.67977237701416, -0.2781413793563843, -0.7097585201263428 ], [ -8.830345153808594, -0.7069715857505798, -0.8458023071289062 ], [ -6.453099250793457, -1.1975010633468628, -0.6072049736976624 ], [ -5.390871047973633, -0.5346599817276001, 0.28809794783592224 ], [ -4.991682052612305, 0.917770504951477, -0.10820470005273819 ], [ -3.4675018787384033, 0.8276381492614746, -0.4585281014442444 ], [ -2.689072847366333, 2.1211631298065186, -0.17233341932296753 ], [ -1.1709566116333008, 1.9390122890472412, 0.030718721449375153 ], [ -0.6123794913291931, 0.5219054818153381, -0.26001858711242676 ], [ 0.27933552861213684, 0.3736218810081482, -1.4909088611602783 ], [ 0.9135663509368896, 0.2197117954492569, -0.1310042142868042 ], [ 1.8152670860290527, 1.3131979703903198, 0.40121200680732727 ], [ 3.276506185531616, 1.0576996803283691, 0.08056852966547012 ], [ 3.736407995223999, -0.3147566318511963, 0.57122403383255 ], [ 2.856266975402832, -1.4653337001800537, -0.019974596798419952 ], [ 1.350642442703247, -1.1820870637893677, 0.32984402775764465 ], [ 0.37955719232559204, -2.2902376651763916, -0.13111813366413116 ], [ -1.0596857070922852, -1.935001254081726, 0.10679345577955246 ], [ -1.503260850906372, -0.6622646450996399, 0.11414387077093124 ], [ -2.9498050212860107, -0.30800729990005493, 0.5047316551208496 ], [ -4.075719356536865, -1.365267038345337, 0.3049105107784271 ], [ -4.219956874847412, -2.366823434829712, 1.3152753114700317 ], [ -2.882228136062622, 0.08295176923274994, 2.0134477615356445 ], [ 3.0922329425811768, -1.605469822883606, -1.543321967124939 ], [ 3.3121230602264404, -2.7956933975219727, 0.6289361715316772 ], [ 5.10172176361084, -0.5355848073959351, 0.19206750392913818 ], [ 6.065303325653076, -0.12136848270893097, 1.1605240106582642 ], [ 7.434293746948242, -0.7964966297149658, 0.887842059135437 ], [ 8.173604011535645, -0.16572649776935577, -0.3074283301830292 ], [ 8.128130912780762, 1.3668218851089478, -0.24778088927268982 ], [ 6.710052490234375, 1.861254334449768, 0.01772497594356537 ], [ 6.193017959594727, 1.3006324768066406, 1.2262321710586548 ], [ 8.999527931213379, 1.8394867181777954, 0.7872186899185181 ], [ 7.637845039367676, -0.6474988460540771, -1.5420193672180176 ], [ 8.260741233825684, -0.6644687056541443, 2.059494972229004 ], [ -0.5421749949455261, 2.929419994354248, -0.7919330596923828 ], [ -3.3086071014404297, 0.4785802960395813, -1.9679011106491089 ], [ -5.917724132537842, -0.45906323194503784, 1.6287693977355957 ], [ -6.77876091003418, -2.515087366104126, -0.16342851519584656 ] ]	C[C@@H]1CC(=O)[C@@H]([C@@]2([C@H]1[C@]3(C[C@@H]([C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3([C@H]2O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)O)O	I would like to know the Complexity of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 1220.00.	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10008761	Molecular Weight	[ [ 12.557445526123047, -2.538760185241699, -0.6816480755805969 ], [ 11.934941291809082, -1.7685420513153076, -1.8156161308288574 ], [ 11.434272766113281, -2.328256845474243, -2.785526752471924 ], [ 12.001975059509277, -0.40056028962135315, -1.6682161092758179 ], [ 11.442530632019043, 0.5012345910072327, -2.6516048908233643 ], [ 9.924769401550293, 0.6708902716636658, -2.5397825241088867 ], [ 9.466708183288574, 1.5199404954910278, -1.3463035821914673 ], [ 9.365579605102539, 0.7364875674247742, -0.03420621156692505 ], [ 9.047624588012695, 1.6223689317703247, 1.1751708984375 ], [ 7.704628944396973, 2.186964988708496, 1.1667076349258423 ], [ 6.499544143676758, 1.5951402187347412, 1.4630323648452759 ], [ 5.438426494598389, 2.148820638656616, 1.1626325845718384 ], [ 6.55756139755249, 0.2906883955001831, 2.236093282699585 ], [ 5.17613410949707, -0.339903861284256, 2.3700058460235596 ], [ 4.699641704559326, -0.9132166504859924, 1.0506058931350708 ], [ 5.441011905670166, -1.0864534378051758, 0.08954263478517532 ], [ 3.366891622543335, -1.2593375444412231, 1.0652326345443726 ], [ 2.692185401916504, -1.759118914604187, -0.11361901462078094 ], [ 2.278576135635376, -0.6457371711730957, -1.078957438468933 ], [ 1.374498724937439, 0.43786880373954773, -0.47737398743629456 ], [ 0.08742832392454147, -0.060077883303165436, 0.183821439743042 ], [ -0.8682652711868286, -0.75485759973526, -0.7888974547386169 ], [ -2.067514181137085, -1.2459570169448853, -0.11778431385755539 ], [ -3.1310999393463135, -0.5005558133125305, 0.35093751549720764 ], [ -3.8075387477874756, -0.898495614528656, 1.3039735555648804 ], [ -3.404430866241455, 0.8124284744262695, -0.3573875427246094 ], [ -4.751494884490967, 1.392363429069519, 0.06375705450773239 ], [ -5.894111633300781, 0.6178090572357178, -0.5640565156936646 ], [ -5.81144380569458, 0.10291428118944168, -1.6753243207931519 ], [ -7.045238494873047, 0.6072494983673096, 0.19766604900360107 ], [ -8.172303199768066, -0.19873517751693726, -0.22296756505966187 ], [ -9.448441505432129, 0.11868938058614731, 0.5539898872375488 ], [ -9.963053703308105, 1.536454200744629, 0.2843918204307556 ], [ -11.249505996704102, 1.889808177947998, 1.0421894788742065 ], [ -12.517754554748535, 1.2724019289016724, 0.4482898712158203 ], [ -12.652750968933105, -0.15110984444618225, 0.7298495173454285 ], [ -13.355610847473145, -1.0402427911758423, -0.06959991157054901 ], [ -14.017354011535645, -1.9600547552108765, 0.4172780513763428 ], [ -13.241156578063965, -0.8435693979263306, -1.5578027963638306 ], [ -12.933624267578125, -0.35087382793426514, 2.1155269145965576 ], [ -1.779188632965088, -2.39323353767395, 0.6728537678718567 ], [ 7.619488716125488, 3.377127170562744, 0.40312695503234863 ] ]	CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O	Please provide me with the Molecular Weight value of this molecule. Determine the Molecular Weight value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 602.70 g/mol.	[ [ 188, 1036, 560, 850 ], [ 2521, 1933, 3949, 850 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3949, 850 ], [ 2357, 2121, 109, 3239 ], [ 3948, 2034, 109, 3239 ], [ 3948, 3906, 109, 3239 ], [ 3948, 3906, 830, 2741 ], [ 3948, 3906, 2440, 2741 ], [ 3948, 2763, 3465, 2741 ], [ 3042, 1844, 3465, 2741 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 1526, 2741 ], [ 2521, 4044, 865, 1665 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 322, 1749 ], [ 3948, 3720, 276, 2966 ], [ 3948, 3720, 2903, 1749 ], [ 2521, 2414, 1183, 3930 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 1183, 1749 ], [ 2357, 2121, 2740, 400 ], [ 3948, 2034, 229, 2549 ], [ 3948, 3906, 1551, 2424 ], [ 3948, 3906, 403, 2557 ], [ 3948, 3906, 128, 3758 ], [ 3948, 2763, 979, 1300 ], [ 3042, 1844, 3695, 3385 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 1149, 3571 ], [ 2521, 4044, 1388, 746 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3991, 2755 ], [ 3948, 3720, 1805, 746 ], [ 3948, 3720, 3056, 3211 ], [ 2521, 2414, 264, 2239 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 264, 2864 ], [ 2357, 2121, 881, 2239 ], [ 3948, 2034, 3704, 1651 ], [ 3948, 3906, 1708, 2803 ], [ 3948, 3906, 1708, 2803 ], [ 3948, 3906, 2346, 733 ], [ 3948, 2763, 1756, 996 ], [ 3042, 1844, 1756, 996 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 893, 1264 ], [ 2521, 1653, 1756, 1264 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1036, 2228, 1264 ], [ 2700, 1802, 2542, 1264 ] ]	[C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][Branch1][C][C][=O]
10008761	LogP	[ [ 12.557445526123047, -2.538760185241699, -0.6816480755805969 ], [ 11.934941291809082, -1.7685420513153076, -1.8156161308288574 ], [ 11.434272766113281, -2.328256845474243, -2.785526752471924 ], [ 12.001975059509277, -0.40056028962135315, -1.6682161092758179 ], [ 11.442530632019043, 0.5012345910072327, -2.6516048908233643 ], [ 9.924769401550293, 0.6708902716636658, -2.5397825241088867 ], [ 9.466708183288574, 1.5199404954910278, -1.3463035821914673 ], [ 9.365579605102539, 0.7364875674247742, -0.03420621156692505 ], [ 9.047624588012695, 1.6223689317703247, 1.1751708984375 ], [ 7.704628944396973, 2.186964988708496, 1.1667076349258423 ], [ 6.499544143676758, 1.5951402187347412, 1.4630323648452759 ], [ 5.438426494598389, 2.148820638656616, 1.1626325845718384 ], [ 6.55756139755249, 0.2906883955001831, 2.236093282699585 ], [ 5.17613410949707, -0.339903861284256, 2.3700058460235596 ], [ 4.699641704559326, -0.9132166504859924, 1.0506058931350708 ], [ 5.441011905670166, -1.0864534378051758, 0.08954263478517532 ], [ 3.366891622543335, -1.2593375444412231, 1.0652326345443726 ], [ 2.692185401916504, -1.759118914604187, -0.11361901462078094 ], [ 2.278576135635376, -0.6457371711730957, -1.078957438468933 ], [ 1.374498724937439, 0.43786880373954773, -0.47737398743629456 ], [ 0.08742832392454147, -0.060077883303165436, 0.183821439743042 ], [ -0.8682652711868286, -0.75485759973526, -0.7888974547386169 ], [ -2.067514181137085, -1.2459570169448853, -0.11778431385755539 ], [ -3.1310999393463135, -0.5005558133125305, 0.35093751549720764 ], [ -3.8075387477874756, -0.898495614528656, 1.3039735555648804 ], [ -3.404430866241455, 0.8124284744262695, -0.3573875427246094 ], [ -4.751494884490967, 1.392363429069519, 0.06375705450773239 ], [ -5.894111633300781, 0.6178090572357178, -0.5640565156936646 ], [ -5.81144380569458, 0.10291428118944168, -1.6753243207931519 ], [ -7.045238494873047, 0.6072494983673096, 0.19766604900360107 ], [ -8.172303199768066, -0.19873517751693726, -0.22296756505966187 ], [ -9.448441505432129, 0.11868938058614731, 0.5539898872375488 ], [ -9.963053703308105, 1.536454200744629, 0.2843918204307556 ], [ -11.249505996704102, 1.889808177947998, 1.0421894788742065 ], [ -12.517754554748535, 1.2724019289016724, 0.4482898712158203 ], [ -12.652750968933105, -0.15110984444618225, 0.7298495173454285 ], [ -13.355610847473145, -1.0402427911758423, -0.06959991157054901 ], [ -14.017354011535645, -1.9600547552108765, 0.4172780513763428 ], [ -13.241156578063965, -0.8435693979263306, -1.5578027963638306 ], [ -12.933624267578125, -0.35087382793426514, 2.1155269145965576 ], [ -1.779188632965088, -2.39323353767395, 0.6728537678718567 ], [ 7.619488716125488, 3.377127170562744, 0.40312695503234863 ] ]	CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O	What is the LogP of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is -1.90.	[ [ 188, 1036, 560, 850 ], [ 2521, 1933, 3949, 850 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3949, 850 ], [ 2357, 2121, 109, 3239 ], [ 3948, 2034, 109, 3239 ], [ 3948, 3906, 109, 3239 ], [ 3948, 3906, 830, 2741 ], [ 3948, 3906, 2440, 2741 ], [ 3948, 2763, 3465, 2741 ], [ 3042, 1844, 3465, 2741 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 1526, 2741 ], [ 2521, 4044, 865, 1665 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 322, 1749 ], [ 3948, 3720, 276, 2966 ], [ 3948, 3720, 2903, 1749 ], [ 2521, 2414, 1183, 3930 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 1183, 1749 ], [ 2357, 2121, 2740, 400 ], [ 3948, 2034, 229, 2549 ], [ 3948, 3906, 1551, 2424 ], [ 3948, 3906, 403, 2557 ], [ 3948, 3906, 128, 3758 ], [ 3948, 2763, 979, 1300 ], [ 3042, 1844, 3695, 3385 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 1149, 3571 ], [ 2521, 4044, 1388, 746 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3991, 2755 ], [ 3948, 3720, 1805, 746 ], [ 3948, 3720, 3056, 3211 ], [ 2521, 2414, 264, 2239 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 264, 2864 ], [ 2357, 2121, 881, 2239 ], [ 3948, 2034, 3704, 1651 ], [ 3948, 3906, 1708, 2803 ], [ 3948, 3906, 1708, 2803 ], [ 3948, 3906, 2346, 733 ], [ 3948, 2763, 1756, 996 ], [ 3042, 1844, 1756, 996 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 893, 1264 ], [ 2521, 1653, 1756, 1264 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1036, 2228, 1264 ], [ 2700, 1802, 2542, 1264 ] ]	[C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][Branch1][C][C][=O]
10008761	Topological Polar Surface Area	[ [ 12.557445526123047, -2.538760185241699, -0.6816480755805969 ], [ 11.934941291809082, -1.7685420513153076, -1.8156161308288574 ], [ 11.434272766113281, -2.328256845474243, -2.785526752471924 ], [ 12.001975059509277, -0.40056028962135315, -1.6682161092758179 ], [ 11.442530632019043, 0.5012345910072327, -2.6516048908233643 ], [ 9.924769401550293, 0.6708902716636658, -2.5397825241088867 ], [ 9.466708183288574, 1.5199404954910278, -1.3463035821914673 ], [ 9.365579605102539, 0.7364875674247742, -0.03420621156692505 ], [ 9.047624588012695, 1.6223689317703247, 1.1751708984375 ], [ 7.704628944396973, 2.186964988708496, 1.1667076349258423 ], [ 6.499544143676758, 1.5951402187347412, 1.4630323648452759 ], [ 5.438426494598389, 2.148820638656616, 1.1626325845718384 ], [ 6.55756139755249, 0.2906883955001831, 2.236093282699585 ], [ 5.17613410949707, -0.339903861284256, 2.3700058460235596 ], [ 4.699641704559326, -0.9132166504859924, 1.0506058931350708 ], [ 5.441011905670166, -1.0864534378051758, 0.08954263478517532 ], [ 3.366891622543335, -1.2593375444412231, 1.0652326345443726 ], [ 2.692185401916504, -1.759118914604187, -0.11361901462078094 ], [ 2.278576135635376, -0.6457371711730957, -1.078957438468933 ], [ 1.374498724937439, 0.43786880373954773, -0.47737398743629456 ], [ 0.08742832392454147, -0.060077883303165436, 0.183821439743042 ], [ -0.8682652711868286, -0.75485759973526, -0.7888974547386169 ], [ -2.067514181137085, -1.2459570169448853, -0.11778431385755539 ], [ -3.1310999393463135, -0.5005558133125305, 0.35093751549720764 ], [ -3.8075387477874756, -0.898495614528656, 1.3039735555648804 ], [ -3.404430866241455, 0.8124284744262695, -0.3573875427246094 ], [ -4.751494884490967, 1.392363429069519, 0.06375705450773239 ], [ -5.894111633300781, 0.6178090572357178, -0.5640565156936646 ], [ -5.81144380569458, 0.10291428118944168, -1.6753243207931519 ], [ -7.045238494873047, 0.6072494983673096, 0.19766604900360107 ], [ -8.172303199768066, -0.19873517751693726, -0.22296756505966187 ], [ -9.448441505432129, 0.11868938058614731, 0.5539898872375488 ], [ -9.963053703308105, 1.536454200744629, 0.2843918204307556 ], [ -11.249505996704102, 1.889808177947998, 1.0421894788742065 ], [ -12.517754554748535, 1.2724019289016724, 0.4482898712158203 ], [ -12.652750968933105, -0.15110984444618225, 0.7298495173454285 ], [ -13.355610847473145, -1.0402427911758423, -0.06959991157054901 ], [ -14.017354011535645, -1.9600547552108765, 0.4172780513763428 ], [ -13.241156578063965, -0.8435693979263306, -1.5578027963638306 ], [ -12.933624267578125, -0.35087382793426514, 2.1155269145965576 ], [ -1.779188632965088, -2.39323353767395, 0.6728537678718567 ], [ 7.619488716125488, 3.377127170562744, 0.40312695503234863 ] ]	CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O	I would like to know the Topological Polar Surface Area of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 209.00 Å².	[ [ 188, 1036, 560, 850 ], [ 2521, 1933, 3949, 850 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3949, 850 ], [ 2357, 2121, 109, 3239 ], [ 3948, 2034, 109, 3239 ], [ 3948, 3906, 109, 3239 ], [ 3948, 3906, 830, 2741 ], [ 3948, 3906, 2440, 2741 ], [ 3948, 2763, 3465, 2741 ], [ 3042, 1844, 3465, 2741 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 1526, 2741 ], [ 2521, 4044, 865, 1665 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 322, 1749 ], [ 3948, 3720, 276, 2966 ], [ 3948, 3720, 2903, 1749 ], [ 2521, 2414, 1183, 3930 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 1183, 1749 ], [ 2357, 2121, 2740, 400 ], [ 3948, 2034, 229, 2549 ], [ 3948, 3906, 1551, 2424 ], [ 3948, 3906, 403, 2557 ], [ 3948, 3906, 128, 3758 ], [ 3948, 2763, 979, 1300 ], [ 3042, 1844, 3695, 3385 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 1149, 3571 ], [ 2521, 4044, 1388, 746 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3991, 2755 ], [ 3948, 3720, 1805, 746 ], [ 3948, 3720, 3056, 3211 ], [ 2521, 2414, 264, 2239 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 264, 2864 ], [ 2357, 2121, 881, 2239 ], [ 3948, 2034, 3704, 1651 ], [ 3948, 3906, 1708, 2803 ], [ 3948, 3906, 1708, 2803 ], [ 3948, 3906, 2346, 733 ], [ 3948, 2763, 1756, 996 ], [ 3042, 1844, 1756, 996 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 893, 1264 ], [ 2521, 1653, 1756, 1264 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1036, 2228, 1264 ], [ 2700, 1802, 2542, 1264 ] ]	[C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][Branch1][C][C][=O]
10008761	Complexity	[ [ 12.557445526123047, -2.538760185241699, -0.6816480755805969 ], [ 11.934941291809082, -1.7685420513153076, -1.8156161308288574 ], [ 11.434272766113281, -2.328256845474243, -2.785526752471924 ], [ 12.001975059509277, -0.40056028962135315, -1.6682161092758179 ], [ 11.442530632019043, 0.5012345910072327, -2.6516048908233643 ], [ 9.924769401550293, 0.6708902716636658, -2.5397825241088867 ], [ 9.466708183288574, 1.5199404954910278, -1.3463035821914673 ], [ 9.365579605102539, 0.7364875674247742, -0.03420621156692505 ], [ 9.047624588012695, 1.6223689317703247, 1.1751708984375 ], [ 7.704628944396973, 2.186964988708496, 1.1667076349258423 ], [ 6.499544143676758, 1.5951402187347412, 1.4630323648452759 ], [ 5.438426494598389, 2.148820638656616, 1.1626325845718384 ], [ 6.55756139755249, 0.2906883955001831, 2.236093282699585 ], [ 5.17613410949707, -0.339903861284256, 2.3700058460235596 ], [ 4.699641704559326, -0.9132166504859924, 1.0506058931350708 ], [ 5.441011905670166, -1.0864534378051758, 0.08954263478517532 ], [ 3.366891622543335, -1.2593375444412231, 1.0652326345443726 ], [ 2.692185401916504, -1.759118914604187, -0.11361901462078094 ], [ 2.278576135635376, -0.6457371711730957, -1.078957438468933 ], [ 1.374498724937439, 0.43786880373954773, -0.47737398743629456 ], [ 0.08742832392454147, -0.060077883303165436, 0.183821439743042 ], [ -0.8682652711868286, -0.75485759973526, -0.7888974547386169 ], [ -2.067514181137085, -1.2459570169448853, -0.11778431385755539 ], [ -3.1310999393463135, -0.5005558133125305, 0.35093751549720764 ], [ -3.8075387477874756, -0.898495614528656, 1.3039735555648804 ], [ -3.404430866241455, 0.8124284744262695, -0.3573875427246094 ], [ -4.751494884490967, 1.392363429069519, 0.06375705450773239 ], [ -5.894111633300781, 0.6178090572357178, -0.5640565156936646 ], [ -5.81144380569458, 0.10291428118944168, -1.6753243207931519 ], [ -7.045238494873047, 0.6072494983673096, 0.19766604900360107 ], [ -8.172303199768066, -0.19873517751693726, -0.22296756505966187 ], [ -9.448441505432129, 0.11868938058614731, 0.5539898872375488 ], [ -9.963053703308105, 1.536454200744629, 0.2843918204307556 ], [ -11.249505996704102, 1.889808177947998, 1.0421894788742065 ], [ -12.517754554748535, 1.2724019289016724, 0.4482898712158203 ], [ -12.652750968933105, -0.15110984444618225, 0.7298495173454285 ], [ -13.355610847473145, -1.0402427911758423, -0.06959991157054901 ], [ -14.017354011535645, -1.9600547552108765, 0.4172780513763428 ], [ -13.241156578063965, -0.8435693979263306, -1.5578027963638306 ], [ -12.933624267578125, -0.35087382793426514, 2.1155269145965576 ], [ -1.779188632965088, -2.39323353767395, 0.6728537678718567 ], [ 7.619488716125488, 3.377127170562744, 0.40312695503234863 ] ]	CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O	What is the Complexity of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 843.00.	[ [ 188, 1036, 560, 850 ], [ 2521, 1933, 3949, 850 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3949, 850 ], [ 2357, 2121, 109, 3239 ], [ 3948, 2034, 109, 3239 ], [ 3948, 3906, 109, 3239 ], [ 3948, 3906, 830, 2741 ], [ 3948, 3906, 2440, 2741 ], [ 3948, 2763, 3465, 2741 ], [ 3042, 1844, 3465, 2741 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 1526, 2741 ], [ 2521, 4044, 865, 1665 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 322, 1749 ], [ 3948, 3720, 276, 2966 ], [ 3948, 3720, 2903, 1749 ], [ 2521, 2414, 1183, 3930 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 1183, 1749 ], [ 2357, 2121, 2740, 400 ], [ 3948, 2034, 229, 2549 ], [ 3948, 3906, 1551, 2424 ], [ 3948, 3906, 403, 2557 ], [ 3948, 3906, 128, 3758 ], [ 3948, 2763, 979, 1300 ], [ 3042, 1844, 3695, 3385 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 1149, 3571 ], [ 2521, 4044, 1388, 746 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3991, 2755 ], [ 3948, 3720, 1805, 746 ], [ 3948, 3720, 3056, 3211 ], [ 2521, 2414, 264, 2239 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 264, 2864 ], [ 2357, 2121, 881, 2239 ], [ 3948, 2034, 3704, 1651 ], [ 3948, 3906, 1708, 2803 ], [ 3948, 3906, 1708, 2803 ], [ 3948, 3906, 2346, 733 ], [ 3948, 2763, 1756, 996 ], [ 3042, 1844, 1756, 996 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2885, 337, 893, 1264 ], [ 2521, 1653, 1756, 1264 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 1036, 2228, 1264 ], [ 2700, 1802, 2542, 1264 ] ]	[C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][Branch1][C][C][=O]
100094	Molecular Weight	[ [ -4.478551864624023, -1.8589246273040771, 0.5995869636535645 ], [ -5.548446178436279, -1.0864351987838745, 1.0438282489776611 ], [ -5.555830001831055, 0.30031493306159973, 0.8695376515388489 ], [ -4.451543807983398, 0.8808698058128357, 0.23411673307418823 ], [ -3.3643131256103516, 0.13578030467033386, -0.22271081805229187 ], [ -3.3821969032287598, -1.2621779441833496, -0.03385089337825775 ], [ -2.4308605194091797, 1.0532777309417725, -0.8062511086463928 ], [ -2.98349666595459, 2.3139381408691406, -0.692605197429657 ], [ -4.194115161895752, 2.1981000900268555, -0.06448262929916382 ], [ -1.107378602027893, 0.7188904285430908, -1.4195095300674438 ], [ 0.0802917629480362, 0.9213911294937134, -0.4735541045665741 ], [ 0.031115859746932983, -0.10364428162574768, 0.6569899916648865 ], [ 0.4161834120750427, -1.2633918523788452, 0.5804065465927124 ], [ -0.4964638352394104, 0.37300288677215576, 1.7995737791061401 ], [ 1.3469549417495728, 0.6963462233543396, -1.1898510456085205 ], [ 2.5099658966064453, 1.2868822813034058, -0.7438803911209106 ], [ 2.5267529487609863, 2.163461923599243, 0.11777129024267197 ], [ 3.8010315895080566, 0.7622975707054138, -1.4161804914474487 ], [ 4.104825496673584, -0.6915290355682373, -1.0320911407470703 ], [ 4.337977409362793, -0.918018639087677, 0.464441180229187 ], [ 4.56261682510376, -2.375196933746338, 0.7638745307922363 ], [ 4.55581521987915, -3.3044545650482178, -0.024966783821582794 ], [ 4.785871505737305, -2.590769052505493, 2.075185775756836 ], [ 4.9337944984436035, 1.6499882936477661, -1.0853785276412964 ] ]	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N	I need to know the Molecular Weight of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 333.34 g/mol.	[ [ 1589, 636, 3323, 3522 ], [ 1513, 2332, 2417, 1900 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 559, 2183, 3522 ], [ 3948, 3720, 2488, 3522 ], [ 2521, 585, 2646, 343 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2646, 2459 ], [ 2885, 2616, 1254, 2459 ], [ 2521, 1041, 2143, 877 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2331, 1900 ], [ 2357, 2074, 3469, 1266 ], [ 1513, 640, 2569, 1266 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 2873, 1027, 2231 ], [ 2714, 2355, 648, 2231 ], [ 1738, 3049, 3735, 2270 ], [ 2793, 3127, 884, 1167 ], [ 2714, 1828, 2498, 1167 ], [ 1738, 561, 1299, 3017 ], [ 1738, 1527, 1760, 3736 ], [ 1738, 1527, 1760, 1167 ], [ 1738, 561, 200, 1167 ], [ 2714, 664, 200, 2270 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2521, 1658, 1832, 1266 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3966, 1266 ], [ 2885, 2616, 3513, 2231 ] ]	[N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]
100094	LogP	[ [ -4.478551864624023, -1.8589246273040771, 0.5995869636535645 ], [ -5.548446178436279, -1.0864351987838745, 1.0438282489776611 ], [ -5.555830001831055, 0.30031493306159973, 0.8695376515388489 ], [ -4.451543807983398, 0.8808698058128357, 0.23411673307418823 ], [ -3.3643131256103516, 0.13578030467033386, -0.22271081805229187 ], [ -3.3821969032287598, -1.2621779441833496, -0.03385089337825775 ], [ -2.4308605194091797, 1.0532777309417725, -0.8062511086463928 ], [ -2.98349666595459, 2.3139381408691406, -0.692605197429657 ], [ -4.194115161895752, 2.1981000900268555, -0.06448262929916382 ], [ -1.107378602027893, 0.7188904285430908, -1.4195095300674438 ], [ 0.0802917629480362, 0.9213911294937134, -0.4735541045665741 ], [ 0.031115859746932983, -0.10364428162574768, 0.6569899916648865 ], [ 0.4161834120750427, -1.2633918523788452, 0.5804065465927124 ], [ -0.4964638352394104, 0.37300288677215576, 1.7995737791061401 ], [ 1.3469549417495728, 0.6963462233543396, -1.1898510456085205 ], [ 2.5099658966064453, 1.2868822813034058, -0.7438803911209106 ], [ 2.5267529487609863, 2.163461923599243, 0.11777129024267197 ], [ 3.8010315895080566, 0.7622975707054138, -1.4161804914474487 ], [ 4.104825496673584, -0.6915290355682373, -1.0320911407470703 ], [ 4.337977409362793, -0.918018639087677, 0.464441180229187 ], [ 4.56261682510376, -2.375196933746338, 0.7638745307922363 ], [ 4.55581521987915, -3.3044545650482178, -0.024966783821582794 ], [ 4.785871505737305, -2.590769052505493, 2.075185775756836 ], [ 4.9337944984436035, 1.6499882936477661, -1.0853785276412964 ] ]	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N	I would like to know the LogP of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is -2.70.	[ [ 1589, 636, 3323, 3522 ], [ 1513, 2332, 2417, 1900 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 559, 2183, 3522 ], [ 3948, 3720, 2488, 3522 ], [ 2521, 585, 2646, 343 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2646, 2459 ], [ 2885, 2616, 1254, 2459 ], [ 2521, 1041, 2143, 877 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2331, 1900 ], [ 2357, 2074, 3469, 1266 ], [ 1513, 640, 2569, 1266 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 2873, 1027, 2231 ], [ 2714, 2355, 648, 2231 ], [ 1738, 3049, 3735, 2270 ], [ 2793, 3127, 884, 1167 ], [ 2714, 1828, 2498, 1167 ], [ 1738, 561, 1299, 3017 ], [ 1738, 1527, 1760, 3736 ], [ 1738, 1527, 1760, 1167 ], [ 1738, 561, 200, 1167 ], [ 2714, 664, 200, 2270 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2521, 1658, 1832, 1266 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3966, 1266 ], [ 2885, 2616, 3513, 2231 ] ]	[N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]
100094	Topological Polar Surface Area	[ [ -4.478551864624023, -1.8589246273040771, 0.5995869636535645 ], [ -5.548446178436279, -1.0864351987838745, 1.0438282489776611 ], [ -5.555830001831055, 0.30031493306159973, 0.8695376515388489 ], [ -4.451543807983398, 0.8808698058128357, 0.23411673307418823 ], [ -3.3643131256103516, 0.13578030467033386, -0.22271081805229187 ], [ -3.3821969032287598, -1.2621779441833496, -0.03385089337825775 ], [ -2.4308605194091797, 1.0532777309417725, -0.8062511086463928 ], [ -2.98349666595459, 2.3139381408691406, -0.692605197429657 ], [ -4.194115161895752, 2.1981000900268555, -0.06448262929916382 ], [ -1.107378602027893, 0.7188904285430908, -1.4195095300674438 ], [ 0.0802917629480362, 0.9213911294937134, -0.4735541045665741 ], [ 0.031115859746932983, -0.10364428162574768, 0.6569899916648865 ], [ 0.4161834120750427, -1.2633918523788452, 0.5804065465927124 ], [ -0.4964638352394104, 0.37300288677215576, 1.7995737791061401 ], [ 1.3469549417495728, 0.6963462233543396, -1.1898510456085205 ], [ 2.5099658966064453, 1.2868822813034058, -0.7438803911209106 ], [ 2.5267529487609863, 2.163461923599243, 0.11777129024267197 ], [ 3.8010315895080566, 0.7622975707054138, -1.4161804914474487 ], [ 4.104825496673584, -0.6915290355682373, -1.0320911407470703 ], [ 4.337977409362793, -0.918018639087677, 0.464441180229187 ], [ 4.56261682510376, -2.375196933746338, 0.7638745307922363 ], [ 4.55581521987915, -3.3044545650482178, -0.024966783821582794 ], [ 4.785871505737305, -2.590769052505493, 2.075185775756836 ], [ 4.9337944984436035, 1.6499882936477661, -1.0853785276412964 ] ]	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N	Please provide me with the Topological Polar Surface Area value of this molecule. Determine the Topological Polar Surface Area value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 146.00 Å².	[ [ 1589, 636, 3323, 3522 ], [ 1513, 2332, 2417, 1900 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 559, 2183, 3522 ], [ 3948, 3720, 2488, 3522 ], [ 2521, 585, 2646, 343 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2646, 2459 ], [ 2885, 2616, 1254, 2459 ], [ 2521, 1041, 2143, 877 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2331, 1900 ], [ 2357, 2074, 3469, 1266 ], [ 1513, 640, 2569, 1266 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 2873, 1027, 2231 ], [ 2714, 2355, 648, 2231 ], [ 1738, 3049, 3735, 2270 ], [ 2793, 3127, 884, 1167 ], [ 2714, 1828, 2498, 1167 ], [ 1738, 561, 1299, 3017 ], [ 1738, 1527, 1760, 3736 ], [ 1738, 1527, 1760, 1167 ], [ 1738, 561, 200, 1167 ], [ 2714, 664, 200, 2270 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2521, 1658, 1832, 1266 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3966, 1266 ], [ 2885, 2616, 3513, 2231 ] ]	[N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]
100094	Complexity	[ [ -4.478551864624023, -1.8589246273040771, 0.5995869636535645 ], [ -5.548446178436279, -1.0864351987838745, 1.0438282489776611 ], [ -5.555830001831055, 0.30031493306159973, 0.8695376515388489 ], [ -4.451543807983398, 0.8808698058128357, 0.23411673307418823 ], [ -3.3643131256103516, 0.13578030467033386, -0.22271081805229187 ], [ -3.3821969032287598, -1.2621779441833496, -0.03385089337825775 ], [ -2.4308605194091797, 1.0532777309417725, -0.8062511086463928 ], [ -2.98349666595459, 2.3139381408691406, -0.692605197429657 ], [ -4.194115161895752, 2.1981000900268555, -0.06448262929916382 ], [ -1.107378602027893, 0.7188904285430908, -1.4195095300674438 ], [ 0.0802917629480362, 0.9213911294937134, -0.4735541045665741 ], [ 0.031115859746932983, -0.10364428162574768, 0.6569899916648865 ], [ 0.4161834120750427, -1.2633918523788452, 0.5804065465927124 ], [ -0.4964638352394104, 0.37300288677215576, 1.7995737791061401 ], [ 1.3469549417495728, 0.6963462233543396, -1.1898510456085205 ], [ 2.5099658966064453, 1.2868822813034058, -0.7438803911209106 ], [ 2.5267529487609863, 2.163461923599243, 0.11777129024267197 ], [ 3.8010315895080566, 0.7622975707054138, -1.4161804914474487 ], [ 4.104825496673584, -0.6915290355682373, -1.0320911407470703 ], [ 4.337977409362793, -0.918018639087677, 0.464441180229187 ], [ 4.56261682510376, -2.375196933746338, 0.7638745307922363 ], [ 4.55581521987915, -3.3044545650482178, -0.024966783821582794 ], [ 4.785871505737305, -2.590769052505493, 2.075185775756836 ], [ 4.9337944984436035, 1.6499882936477661, -1.0853785276412964 ] ]	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N	What is the Complexity of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Complexity for the input molecule is 484.00.	[ [ 1589, 636, 3323, 3522 ], [ 1513, 2332, 2417, 1900 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 559, 2183, 3522 ], [ 3948, 3720, 2488, 3522 ], [ 2521, 585, 2646, 343 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2646, 2459 ], [ 2885, 2616, 1254, 2459 ], [ 2521, 1041, 2143, 877 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 2331, 1900 ], [ 2357, 2074, 3469, 1266 ], [ 1513, 640, 2569, 1266 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 2873, 1027, 2231 ], [ 2714, 2355, 648, 2231 ], [ 1738, 3049, 3735, 2270 ], [ 2793, 3127, 884, 1167 ], [ 2714, 1828, 2498, 1167 ], [ 1738, 561, 1299, 3017 ], [ 1738, 1527, 1760, 3736 ], [ 1738, 1527, 1760, 1167 ], [ 1738, 561, 200, 1167 ], [ 2714, 664, 200, 2270 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2521, 1658, 1832, 1266 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3966, 1266 ], [ 2885, 2616, 3513, 2231 ] ]	[N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]
10011601	Molecular Weight	[ [ -7.98220682144165, 3.119990110397339, 1.7637042999267578 ], [ -7.698489189147949, 1.9540554285049438, 0.8114317655563354 ], [ -6.675437927246094, 0.9758087396621704, 1.3902686834335327 ], [ -7.285723686218262, -0.4143463373184204, 1.1694499254226685 ], [ -6.217630863189697, -1.2988039255142212, 0.5194807052612305 ], [ -4.941396713256836, -0.6080900430679321, 0.9772273302078247 ], [ -5.261209964752197, 0.8871474862098694, 0.7432115077972412 ], [ -4.185100078582764, 1.6914052963256836, 1.4846359491348267 ], [ -2.777249813079834, 1.343015432357788, 0.9716283082962036 ], [ -2.4529049396514893, -0.18061776459217072, 0.9821377992630005 ], [ -3.603977918624878, -1.0483523607254028, 0.38015055656433105 ], [ -3.3462486267089844, -2.540693521499634, 0.6430172920227051 ], [ -1.9149503707885742, -2.9419567584991455, 0.46937698125839233 ], [ -0.8919183015823364, -2.083993673324585, 0.3146396577358246 ], [ -1.0708160400390625, -0.5601315498352051, 0.32111141085624695 ], [ 0.10048630833625793, 0.10551409423351288, 1.1062270402908325 ], [ 0.8513668179512024, -0.8610944151878357, 2.0300686359405518 ], [ 1.507072925567627, -1.9802770614624023, 1.2158825397491455 ], [ 0.5286886692047119, -2.593623161315918, 0.1864599734544754 ], [ 2.6193418502807617, -1.4667655229568481, 0.46708157658576965 ], [ 3.861891269683838, -1.4467793703079224, 1.1699047088623047 ], [ 5.002830505371094, -1.7219760417938232, 0.16539178788661957 ], [ 6.2285847663879395, -0.8558996319770813, 0.4736887216567993 ], [ 5.812898635864258, 0.6163519620895386, 0.39625319838523865 ], [ 4.564427375793457, 0.896766722202301, 1.2556588649749756 ], [ 4.030482769012451, -0.2493470162153244, 1.926514744758606 ], [ 3.500236988067627, 1.6922587156295776, 0.48382019996643066 ], [ 3.2270407676696777, 1.116902470588684, -0.7900699377059937 ], [ 6.872026443481445, 1.4666682481765747, 0.8865326642990112 ], [ 7.565680980682373, 2.1615285873413086, -0.16119056940078735 ], [ 8.27261734008789, 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-11.71188735961914, -1.9840466976165771, -1.3521854877471924 ], [ -11.899703979492188, -3.2630412578582764, -1.9621260166168213 ], [ -14.658308029174805, -3.0626235008239746, -0.8403573036193848 ], [ -16.397125244140625, -1.0061262845993042, -0.12238617241382599 ], [ -15.119414329528809, 1.224063754081726, 1.332985520362854 ], [ -10.005712509155273, 1.2582776546478271, 1.3394763469696045 ], [ -10.045867919921875, 0.4024438261985779, 2.4646997451782227 ] ]	C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC	Could you give me the Molecular Weight value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.	The Molecular Weight for the input molecule is 1209.40 g/mol.	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10011601	LogP	[ [ -7.98220682144165, 3.119990110397339, 1.7637042999267578 ], [ -7.698489189147949, 1.9540554285049438, 0.8114317655563354 ], [ -6.675437927246094, 0.9758087396621704, 1.3902686834335327 ], [ -7.285723686218262, -0.4143463373184204, 1.1694499254226685 ], [ -6.217630863189697, -1.2988039255142212, 0.5194807052612305 ], [ -4.941396713256836, -0.6080900430679321, 0.9772273302078247 ], [ -5.261209964752197, 0.8871474862098694, 0.7432115077972412 ], [ -4.185100078582764, 1.6914052963256836, 1.4846359491348267 ], [ -2.777249813079834, 1.343015432357788, 0.9716283082962036 ], [ -2.4529049396514893, -0.18061776459217072, 0.9821377992630005 ], [ -3.603977918624878, -1.0483523607254028, 0.38015055656433105 ], [ -3.3462486267089844, -2.540693521499634, 0.6430172920227051 ], [ -1.9149503707885742, -2.9419567584991455, 0.46937698125839233 ], [ -0.8919183015823364, -2.083993673324585, 0.3146396577358246 ], [ -1.0708160400390625, -0.5601315498352051, 0.32111141085624695 ], [ 0.10048630833625793, 0.10551409423351288, 1.1062270402908325 ], [ 0.8513668179512024, -0.8610944151878357, 2.0300686359405518 ], [ 1.507072925567627, -1.9802770614624023, 1.2158825397491455 ], [ 0.5286886692047119, -2.593623161315918, 0.1864599734544754 ], [ 2.6193418502807617, -1.4667655229568481, 0.46708157658576965 ], [ 3.861891269683838, -1.4467793703079224, 1.1699047088623047 ], [ 5.002830505371094, -1.7219760417938232, 0.16539178788661957 ], [ 6.2285847663879395, -0.8558996319770813, 0.4736887216567993 ], [ 5.812898635864258, 0.6163519620895386, 0.39625319838523865 ], [ 4.564427375793457, 0.896766722202301, 1.2556588649749756 ], [ 4.030482769012451, -0.2493470162153244, 1.926514744758606 ], [ 3.500236988067627, 1.6922587156295776, 0.48382019996643066 ], [ 3.2270407676696777, 1.116902470588684, -0.7900699377059937 ], [ 6.872026443481445, 1.4666682481765747, 0.8865326642990112 ], [ 7.565680980682373, 2.1615285873413086, -0.16119056940078735 ], [ 8.27261734008789, 3.363424062728882, 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5.113683223724365, 1.119691252708435 ], [ 8.16954517364502, 4.796867370605469, -1.4699013233184814 ], [ 7.30098819732666, 4.256150245666504, 1.061819314956665 ], [ 7.249917984008789, -1.1336302757263184, -0.5070205926895142 ], [ 5.417710304260254, -3.104801654815674, 0.20377248525619507 ], [ 4.4951934814453125, -3.9935059547424316, -0.43692320585250854 ], [ 5.371567249298096, -5.026599407196045, -1.1692113876342773 ], [ 4.496097087860107, -6.109710216522217, -1.7929866313934326 ], [ 3.394671678543091, -6.589393615722656, -0.8233475685119629 ], [ 3.567762613296509, -5.972743511199951, 0.5776673555374146 ], [ 3.621366500854492, -4.547196865081787, 0.5413763523101807 ], [ 2.420985460281372, -6.3603901863098145, 1.507283329963684 ], [ 3.398719072341919, -8.022377967834473, -0.7420120239257812 ], [ 3.8903908729553223, -5.593348026275635, -2.990097761154175 ], [ 6.17120885848999, -4.404130935668945, -2.1898763179779053 ], [ -0.9914863705635071, -0.07467254996299744, -1.1483272314071655 ], [ -5.259651184082031, 1.281701922416687, -0.7568395137786865 ], [ -8.4451904296875, -0.2847771644592285, 0.36558797955513 ], [ -8.91528034210205, 1.0766488313674927, 0.43270131945610046 ], [ -9.436003684997559, 1.3632185459136963, -0.9967561960220337 ], [ -9.961552619934082, 2.7651455402374268, -1.3141496181488037 ], [ -11.325621604919434, 3.1772611141204834, -0.7261859178543091 ], [ -11.517549514770508, 4.684437274932861, -0.9482252597808838 ], [ -12.526296615600586, 2.4344327449798584, -1.3511064052581787 ], [ -12.543672561645508, 1.0257341861724854, -1.12593412399292 ], [ -13.004594802856445, 0.649036169052124, 0.17629404366016388 ], [ -14.55474853515625, 0.5440475940704346, 0.1954646110534668 ], [ -15.009223937988281, -0.9148843288421631, 0.24293935298919678 ], [ -14.160399436950684, -1.7242311239242554, -0.729435920715332 ], [ -12.713157653808594, -1.7344361543655396, -0.21407759189605713 ], [ -12.38397216796875, -0.5824978947639465, 0.566130518913269 ], [ -11.71188735961914, -1.9840466976165771, -1.3521854877471924 ], [ -11.899703979492188, -3.2630412578582764, -1.9621260166168213 ], [ -14.658308029174805, -3.0626235008239746, -0.8403573036193848 ], [ -16.397125244140625, -1.0061262845993042, -0.12238617241382599 ], [ -15.119414329528809, 1.224063754081726, 1.332985520362854 ], [ -10.005712509155273, 1.2582776546478271, 1.3394763469696045 ], [ -10.045867919921875, 0.4024438261985779, 2.4646997451782227 ] ]	C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC	I need to know the LogP of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.	The LogP for the input molecule is -1.80.	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10011601	Topological Polar Surface Area	[ [ -7.98220682144165, 3.119990110397339, 1.7637042999267578 ], [ -7.698489189147949, 1.9540554285049438, 0.8114317655563354 ], [ -6.675437927246094, 0.9758087396621704, 1.3902686834335327 ], [ -7.285723686218262, -0.4143463373184204, 1.1694499254226685 ], [ -6.217630863189697, -1.2988039255142212, 0.5194807052612305 ], [ -4.941396713256836, -0.6080900430679321, 0.9772273302078247 ], [ -5.261209964752197, 0.8871474862098694, 0.7432115077972412 ], [ -4.185100078582764, 1.6914052963256836, 1.4846359491348267 ], [ -2.777249813079834, 1.343015432357788, 0.9716283082962036 ], [ -2.4529049396514893, -0.18061776459217072, 0.9821377992630005 ], [ -3.603977918624878, -1.0483523607254028, 0.38015055656433105 ], [ -3.3462486267089844, -2.540693521499634, 0.6430172920227051 ], [ -1.9149503707885742, -2.9419567584991455, 0.46937698125839233 ], [ -0.8919183015823364, -2.083993673324585, 0.3146396577358246 ], [ -1.0708160400390625, -0.5601315498352051, 0.32111141085624695 ], [ 0.10048630833625793, 0.10551409423351288, 1.1062270402908325 ], [ 0.8513668179512024, -0.8610944151878357, 2.0300686359405518 ], [ 1.507072925567627, -1.9802770614624023, 1.2158825397491455 ], [ 0.5286886692047119, -2.593623161315918, 0.1864599734544754 ], [ 2.6193418502807617, -1.4667655229568481, 0.46708157658576965 ], [ 3.861891269683838, -1.4467793703079224, 1.1699047088623047 ], [ 5.002830505371094, -1.7219760417938232, 0.16539178788661957 ], [ 6.2285847663879395, -0.8558996319770813, 0.4736887216567993 ], [ 5.812898635864258, 0.6163519620895386, 0.39625319838523865 ], [ 4.564427375793457, 0.896766722202301, 1.2556588649749756 ], [ 4.030482769012451, -0.2493470162153244, 1.926514744758606 ], [ 3.500236988067627, 1.6922587156295776, 0.48382019996643066 ], [ 3.2270407676696777, 1.116902470588684, -0.7900699377059937 ], [ 6.872026443481445, 1.4666682481765747, 0.8865326642990112 ], [ 7.565680980682373, 2.1615285873413086, -0.16119056940078735 ], [ 8.27261734008789, 3.363424062728882, 0.4827525317668915 ], [ 9.071891784667969, 4.122899532318115, -0.579811692237854 ], [ 9.99844741821289, 3.169679641723633, -1.3462904691696167 ], [ 9.282913208007812, 1.8797132968902588, -1.8054665327072144 ], [ 8.49509334564209, 1.2748169898986816, -0.7659326791763306 ], [ 8.449951171875, 2.059823751449585, -3.0723555088043213 ], [ 11.041982650756836, 2.789080858230591, -0.43354925513267517 ], [ 12.281819343566895, 3.462639093399048, -0.6888405084609985 ], [ 12.927735328674316, 3.8306307792663574, 0.6716207265853882 ], [ 14.452357292175293, 3.871742010116577, 0.5648524761199951 ], [ 15.012353897094727, 2.563906669616699, -0.032910317182540894 ], [ 13.912589073181152, 1.7444883584976196, -0.7406985759735107 ], [ 13.089592933654785, 2.616699695587158, -1.5136899948120117 ], [ 14.512236595153809, 0.7070352435112, -1.6830030679702759 ], [ 15.601593971252441, 1.79734468460083, 1.0205811262130737 ], [ 14.805583000183105, 5.0074310302734375, -0.2493792474269867 ], [ 12.443730354309082, 5.113683223724365, 1.119691252708435 ], [ 8.16954517364502, 4.796867370605469, -1.4699013233184814 ], [ 7.30098819732666, 4.256150245666504, 1.061819314956665 ], [ 7.249917984008789, -1.1336302757263184, -0.5070205926895142 ], [ 5.417710304260254, -3.104801654815674, 0.20377248525619507 ], [ 4.4951934814453125, -3.9935059547424316, -0.43692320585250854 ], [ 5.371567249298096, -5.026599407196045, -1.1692113876342773 ], [ 4.496097087860107, -6.109710216522217, -1.7929866313934326 ], [ 3.394671678543091, -6.589393615722656, -0.8233475685119629 ], [ 3.567762613296509, -5.972743511199951, 0.5776673555374146 ], [ 3.621366500854492, -4.547196865081787, 0.5413763523101807 ], [ 2.420985460281372, -6.3603901863098145, 1.507283329963684 ], [ 3.398719072341919, -8.022377967834473, -0.7420120239257812 ], [ 3.8903908729553223, -5.593348026275635, -2.990097761154175 ], [ 6.17120885848999, -4.404130935668945, -2.1898763179779053 ], [ -0.9914863705635071, -0.07467254996299744, -1.1483272314071655 ], [ -5.259651184082031, 1.281701922416687, -0.7568395137786865 ], [ -8.4451904296875, -0.2847771644592285, 0.36558797955513 ], [ -8.91528034210205, 1.0766488313674927, 0.43270131945610046 ], [ -9.436003684997559, 1.3632185459136963, -0.9967561960220337 ], [ -9.961552619934082, 2.7651455402374268, -1.3141496181488037 ], [ -11.325621604919434, 3.1772611141204834, -0.7261859178543091 ], [ -11.517549514770508, 4.684437274932861, -0.9482252597808838 ], [ -12.526296615600586, 2.4344327449798584, -1.3511064052581787 ], [ -12.543672561645508, 1.0257341861724854, -1.12593412399292 ], [ -13.004594802856445, 0.649036169052124, 0.17629404366016388 ], [ -14.55474853515625, 0.5440475940704346, 0.1954646110534668 ], [ -15.009223937988281, -0.9148843288421631, 0.24293935298919678 ], [ -14.160399436950684, -1.7242311239242554, -0.729435920715332 ], [ -12.713157653808594, -1.7344361543655396, -0.21407759189605713 ], [ -12.38397216796875, -0.5824978947639465, 0.566130518913269 ], [ -11.71188735961914, -1.9840466976165771, -1.3521854877471924 ], [ -11.899703979492188, -3.2630412578582764, -1.9621260166168213 ], [ -14.658308029174805, -3.0626235008239746, -0.8403573036193848 ], [ -16.397125244140625, -1.0061262845993042, -0.12238617241382599 ], [ -15.119414329528809, 1.224063754081726, 1.332985520362854 ], [ -10.005712509155273, 1.2582776546478271, 1.3394763469696045 ], [ -10.045867919921875, 0.4024438261985779, 2.4646997451782227 ] ]	C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC	Please provide me with the Topological Polar Surface Area value of this molecule. Determine the Topological Polar Surface Area value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.	The Topological Polar Surface Area for the input molecule is 394.00 Å².	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10000860

Molecular Weight

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C[C@@H](C(=O)[O-])[O-].C1C[C@H]([C@@H]1CN)CN.[Pt+2]

Please provide me with the Molecular Weight value of this molecule. Determine the Molecular Weight value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 397.33 g/mol.

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[C][C@H1][Branch1][C][O-1][C][=Branch1][C][=O][O-1].[N][C][C@@H1][C][C][C@H1][Ring1][Ring2][C][N].[Pt+2]

10000860

Topological Polar Surface Area

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C[C@@H](C(=O)[O-])[O-].C1C[C@H]([C@@H]1CN)CN.[Pt+2]

Could you give me the Topological Polar Surface Area value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 115.00 Å².

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[C][C@H1][Branch1][C][O-1][C][=Branch1][C][=O][O-1].[N][C][C@@H1][C][C][C@H1][Ring1][Ring2][C][N].[Pt+2]

10000860

Complexity

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C[C@@H](C(=O)[O-])[O-].C1C[C@H]([C@@H]1CN)CN.[Pt+2]

I would like to know the Complexity of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 117.00.

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[C][C@H1][Branch1][C][O-1][C][=Branch1][C][=O][O-1].[N][C][C@@H1][C][C][C@H1][Ring1][Ring2][C][N].[Pt+2]

10001150

Molecular Weight

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COC1=CC(=CC(=C1)O)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC(=C(C(=C4)OC)OC)O

Could you give me the Molecular Weight value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 402.40 g/mol.

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[C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][O][C][C@@H1][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][O]

10001150

LogP

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COC1=CC(=CC(=C1)O)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC(=C(C(=C4)OC)OC)O

I am interested in the LogP of this molecule, could you tell me what it is? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is 2.00.

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[C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][O][C][C@@H1][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][O]

10001150

Topological Polar Surface Area

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COC1=CC(=CC(=C1)O)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC(=C(C(=C4)OC)OC)O

Could you give me the Topological Polar Surface Area value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 104.00 Å².

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[C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][O][C][C@@H1][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][O]

10001150

Complexity

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COC1=CC(=CC(=C1)O)[C@H]2[C@H]3[C@@H](CO2)[C@@H](OC3=O)C4=CC(=C(C(=C4)OC)OC)O

I need to know the Complexity of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 585.00.

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[C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][O][C][C@@H1][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][O]

10003607

Molecular Weight

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C[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(C)(C)O

I would like to know the Molecular Weight of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 444.70 g/mol.

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[C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]

10003607

LogP

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C[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(C)(C)O

Could you give me the LogP value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is 8.40.

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[C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]

10003607

Topological Polar Surface Area

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C[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(C)(C)O

I am interested in the Topological Polar Surface Area of this molecule, could you tell me what it is? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 40.50 Å².

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[C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]

10003607

Complexity

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C[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(C)(C)O

Could you give me the Complexity value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 771.00.

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[C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]

10005842

Molecular Weight

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COC1=C(C=CC=N1)C(=O)NCCC2CCN(CC2)S(=O)(=O)NC(=O)NCC3CC4CC3C=C4

Please provide me with the Molecular Weight value of this molecule. Determine the Molecular Weight value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 491.60 g/mol.

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[C][O][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][C][=C][C][=N][Ring2][Ring1][S]

10005842

LogP

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COC1=C(C=CC=N1)C(=O)NCCC2CCN(CC2)S(=O)(=O)NC(=O)NCC3CC4CC3C=C4

What is the LogP of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is 1.80.

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[C][O][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][C][=C][C][=N][Ring2][Ring1][S]

10005842

Topological Polar Surface Area

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COC1=C(C=CC=N1)C(=O)NCCC2CCN(CC2)S(=O)(=O)NC(=O)NCC3CC4CC3C=C4

What is the Topological Polar Surface Area of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 138.00 Å².

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[C][O][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][C][=C][C][=N][Ring2][Ring1][S]

10005842

Complexity

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COC1=C(C=CC=N1)C(=O)NCCC2CCN(CC2)S(=O)(=O)NC(=O)NCC3CC4CC3C=C4

Could you give me the Complexity value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 852.00.

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[C][O][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][C][=C][C][=N][Ring2][Ring1][S]

10006666

Molecular Weight

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C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Please provide me with the Molecular Weight value of this molecule. Determine the Molecular Weight value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 513.70 g/mol.

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[C][C@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C@H1][Branch1][C][O][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]

10006666

LogP

[ [ 3.0204598903656006, -1.0011454820632935, 0.20564720034599304 ], [ 2.1883416175842285, -1.213173747062683, -1.061222791671753 ], [ 2.2221267223358154, 0.032243404537439346, -1.9798057079315186 ], [ 3.6070122718811035, 0.34700921177864075, -2.5562877655029297 ], [ 4.446962356567383, 1.2653950452804565, -1.6877943277359009 ], [ 3.999326229095459, 1.9537036418914795, -0.7777303457260132 ], [ 5.780158996582031, 1.2705268859863281, -2.0414280891418457 ], [ 6.738853454589844, 2.1497888565063477, -1.3897279500961304 ], [ 7.031672477722168, 1.7340983152389526, 0.04044207185506821 ], [ 8.288277626037598, 2.767332077026367, 0.7646728754043579 ], [ 8.415299415588379, 2.4561610221862793, 2.170062780380249 ], [ 9.430292129516602, 2.83607816696167, -0.11683318018913269 ], [ 7.514066219329834, 4.182069778442383, 0.7021970748901367 ], [ 0.7349827289581299, -1.7283395528793335, -0.8534995317459106 ], [ 0.6684234142303467, -3.1416733264923096, -0.21599751710891724 ], [ -0.7318807244300842, -3.271064043045044, 0.40346696972846985 ], [ -1.4719572067260742, -2.011732339859009, -0.05265942960977554 ], [ -0.35100769996643066, -0.9281055331230164, -0.06605657190084457 ], [ -0.9198421239852905, 0.33148810267448425, -0.7524223327636719 ], [ -2.177222728729248, 0.8373594880104065, -0.025971919298171997 ], [ -3.2757620811462402, -0.24131789803504944, 0.15404674410820007 ], [ -2.7398557662963867, -1.595415711402893, 0.7105453014373779 ], [ -3.8548641204833984, -2.643435478210449, 0.5519652366638184 ], [ -3.628485918045044, -3.8468477725982666, 0.428471177816391 ], [ -5.284091949462891, -2.140165090560913, 0.5808175802230835 ], [ -5.36088228225708, -0.9358360171318054, 1.521841287612915 ], [ -4.550745964050293, 0.2756781280040741, 0.9488024711608887 ], [ -5.416333198547363, 1.1108472347259521, -0.039792150259017944 ], [ -6.8103814125061035, 1.4582198858261108, 0.47896406054496765 ], [ -7.583419322967529, 0.21159125864505768, 0.8883700370788574 ], [ -6.811006546020508, -0.5974081754684448, 1.9226573705673218 ], [ -7.835413455963135, -0.6043528318405151, -0.25008854269981384 ], [ -4.150731086730957, 1.1751208305358887, 2.144164800643921 ], [ -1.253667950630188, 0.06148524209856987, -2.1112051010131836 ], [ 0.12128940224647522, -0.556183934211731, 1.3613897562026978 ] ]

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Could you give me the LogP value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is 1.90.

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[C][C@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C@H1][Branch1][C][O][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]

10006666

Topological Polar Surface Area

[ [ 3.0204598903656006, -1.0011454820632935, 0.20564720034599304 ], [ 2.1883416175842285, -1.213173747062683, -1.061222791671753 ], [ 2.2221267223358154, 0.032243404537439346, -1.9798057079315186 ], [ 3.6070122718811035, 0.34700921177864075, -2.5562877655029297 ], [ 4.446962356567383, 1.2653950452804565, -1.6877943277359009 ], [ 3.999326229095459, 1.9537036418914795, -0.7777303457260132 ], [ 5.780158996582031, 1.2705268859863281, -2.0414280891418457 ], [ 6.738853454589844, 2.1497888565063477, -1.3897279500961304 ], [ 7.031672477722168, 1.7340983152389526, 0.04044207185506821 ], [ 8.288277626037598, 2.767332077026367, 0.7646728754043579 ], [ 8.415299415588379, 2.4561610221862793, 2.170062780380249 ], [ 9.430292129516602, 2.83607816696167, -0.11683318018913269 ], [ 7.514066219329834, 4.182069778442383, 0.7021970748901367 ], [ 0.7349827289581299, -1.7283395528793335, -0.8534995317459106 ], [ 0.6684234142303467, -3.1416733264923096, -0.21599751710891724 ], [ -0.7318807244300842, -3.271064043045044, 0.40346696972846985 ], [ -1.4719572067260742, -2.011732339859009, -0.05265942960977554 ], [ -0.35100769996643066, -0.9281055331230164, -0.06605657190084457 ], [ -0.9198421239852905, 0.33148810267448425, -0.7524223327636719 ], [ -2.177222728729248, 0.8373594880104065, -0.025971919298171997 ], [ -3.2757620811462402, -0.24131789803504944, 0.15404674410820007 ], [ -2.7398557662963867, -1.595415711402893, 0.7105453014373779 ], [ -3.8548641204833984, -2.643435478210449, 0.5519652366638184 ], [ -3.628485918045044, -3.8468477725982666, 0.428471177816391 ], [ -5.284091949462891, -2.140165090560913, 0.5808175802230835 ], [ -5.36088228225708, -0.9358360171318054, 1.521841287612915 ], [ -4.550745964050293, 0.2756781280040741, 0.9488024711608887 ], [ -5.416333198547363, 1.1108472347259521, -0.039792150259017944 ], [ -6.8103814125061035, 1.4582198858261108, 0.47896406054496765 ], [ -7.583419322967529, 0.21159125864505768, 0.8883700370788574 ], [ -6.811006546020508, -0.5974081754684448, 1.9226573705673218 ], [ -7.835413455963135, -0.6043528318405151, -0.25008854269981384 ], [ -4.150731086730957, 1.1751208305358887, 2.144164800643921 ], [ -1.253667950630188, 0.06148524209856987, -2.1112051010131836 ], [ 0.12128940224647522, -0.556183934211731, 1.3613897562026978 ] ]

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

I would like to know the Topological Polar Surface Area of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 149.00 Å².

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[C][C@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C@H1][Branch1][C][O][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]

10006666

Complexity

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C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Please provide me with the Complexity value of this molecule. Determine the Complexity value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 933.00.

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[C][C@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C@H1][Branch1][C][O][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]

10007338

Molecular Weight

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CC(=CC1OC2C(C(O1)(C)C)OC3CCC4(C5(C(CC(C4(C36C2O6)O)O)CC7=C5NC8=CC=CC=C78)C)C)C

Please provide the Molecular Weight value for this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 535.70 g/mol.

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[C][C][Branch1][C][C][=C][C][O][C][C][Branch2][Branch1][#Branch1][O][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][N][Branch1][C][O][C][Ring1][P][O][C][Ring2][Ring1][=Branch1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][Ring1]

10007338

LogP

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CC(=CC1OC2C(C(O1)(C)C)OC3CCC4(C5(C(CC(C4(C36C2O6)O)O)CC7=C5NC8=CC=CC=C78)C)C)C

I would like to know the LogP of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is 4.00.

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[C][C][Branch1][C][C][=C][C][O][C][C][Branch2][Branch1][#Branch1][O][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][N][Branch1][C][O][C][Ring1][P][O][C][Ring2][Ring1][=Branch1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][Ring1]

10007338

Topological Polar Surface Area

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CC(=CC1OC2C(C(O1)(C)C)OC3CCC4(C5(C(CC(C4(C36C2O6)O)O)CC7=C5NC8=CC=CC=C78)C)C)C

I would like to know the Topological Polar Surface Area of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 96.50 Å².

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[C][C][Branch1][C][C][=C][C][O][C][C][Branch2][Branch1][#Branch1][O][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][N][Branch1][C][O][C][Ring1][P][O][C][Ring2][Ring1][=Branch1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][Ring1]

10007338

Complexity

[ [ 5.707100868225098, -2.2475857734680176, -0.23015040159225464 ], [ 6.011314868927002, -1.4028186798095703, 0.9778960943222046 ], [ 5.384039402008057, -0.2518532872200012, 1.300575613975525 ], [ 4.267423152923584, 0.4525160491466522, 0.5915912389755249 ], [ 3.245159387588501, 0.6344889402389526, 1.5568784475326538 ], [ 2.0991616249084473, 1.3136019706726074, 1.0412263870239258 ], [ 2.3409018516540527, 2.023925304412842, -0.3083595633506775 ], [ 3.7888426780700684, 2.5907304286956787, -0.3710983395576477 ], [ 4.779273986816406, 1.7111878395080566, 0.17577673494815826 ], [ 3.8784115314483643, 3.891939878463745, 0.44525814056396484 ], [ 4.221889019012451, 2.8924455642700195, -1.8150190114974976 ], [ 2.138066053390503, 1.102023720741272, -1.4011632204055786 ], [ 0.7565430402755737, 0.7389956712722778, -1.5228639841079712 ], [ 0.5606440305709839, -0.028434328734874725, -2.8148539066314697 ], [ -0.8968051671981812, -0.452443391084671, -2.8848915100097656 ], [ -1.2546436786651611, -1.5290857553482056, -1.8082436323165894 ], [ -2.786968946456909, -1.4674643278121948, -1.4429038763046265 ], [ -3.204296350479126, -2.6448235511779785, -0.42317068576812744 ], [ -2.0533370971679688, -3.084568738937378, 0.5024913549423218 ], [ -1.0221796035766602, -1.9918404817581177, 0.7875452041625977 ], [ -0.32269492745399475, -1.4282824993133545, -0.5065175294876099 ], [ 0.29319730401039124, -0.025659337639808655, -0.3110370635986328 ], [ 0.9705245494842529, 0.3294413089752197, 1.0035111904144287 ], [ -0.3204558193683624, 0.8407977819442749, 0.6618639826774597 ], [ 0.8262038230895996, -2.290349006652832, -0.7166271805763245 ], [ 0.002441972494125366, -2.5471649169921875, 1.6465625762939453 ], [ -4.398640155792236, -2.0648579597473145, 0.43509453535079956 ], [ -4.11486291885376, -0.6179566383361816, 0.3972368836402893 ], [ -3.2326066493988037, -0.2996937036514282, -0.5998523235321045 ], [ -3.0185205936431885, 1.0385137796401978, -0.5676904916763306 ], [ -3.719601631164551, 1.5785751342773438, 0.5008875131607056 ], [ -3.756361961364746, 2.8909595012664795, 0.9842838048934937 ], [ -4.5628252029418945, 3.153438091278076, 2.0971755981445312 ], [ -5.317437648773193, 2.14906644821167, 2.691904067993164 ], [ -5.278927803039551, 0.8391060829162598, 2.2071120738983154 ], [ -4.451727867126465, 0.547580361366272, 1.105002760887146 ], [ -3.7238035202026367, -1.526451587677002, -2.679100513458252 ], [ -0.9633773565292358, -2.887275218963623, -2.550307273864746 ], [ 7.1289381980896, -1.9307283163070679, 1.843976378440857 ] ]

CC(=CC1OC2C(C(O1)(C)C)OC3CCC4(C5(C(CC(C4(C36C2O6)O)O)CC7=C5NC8=CC=CC=C78)C)C)C

I would like to know the Complexity of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 1090.00.

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[C][C][Branch1][C][C][=C][C][O][C][C][Branch2][Branch1][#Branch1][O][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][N][Branch1][C][O][C][Ring1][P][O][C][Ring2][Ring1][=Branch1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][Ring1]

10007601

Molecular Weight

[ [ -0.6452406048774719, -0.4158511161804199, -2.641663074493408 ], [ -0.012853026390075684, -1.4551867246627808, -1.7029999494552612 ], [ -0.2747485935688019, -1.0947177410125732, -0.21152526140213013 ], [ 0.18188820779323578, 0.30255770683288574, 0.30571672320365906 ], [ 1.6545932292938232, 0.5908722281455994, -0.11479303240776062 ], [ 1.9809011220932007, 1.4131443500518799, -0.9661270380020142 ], [ 2.590304136276245, -0.19368813931941986, 0.5347755551338196 ], [ 3.972867965698242, -0.2389763742685318, 0.06652285903692245 ], [ 4.908651351928711, -0.5371791124343872, 1.2339180707931519 ], [ 4.067914962768555, -1.3263205289840698, -0.9800996780395508 ], [ 3.4646852016448975, -2.498652696609497, -0.8889320492744446 ], [ 3.763922929763794, -3.261699676513672, -2.0013010501861572 ], [ 4.572847366333008, -2.6575281620025635, -2.937783718109131 ], [ 4.994208812713623, -1.08351469039917, -2.4100964069366455 ], [ -0.8618213534355164, 1.3501014709472656, 0.12423721700906754 ], [ -0.5272312164306641, 2.5697414875030518, -0.6078811883926392 ], [ -1.9727734327316284, 1.2702053785324097, 0.9706920981407166 ], [ -2.151588201522827, 0.3053760528564453, 1.7151843309402466 ], [ -2.9872028827667236, 2.408836603164673, 0.922041118144989 ], [ -4.113279342651367, 2.2816548347473145, 1.9839121103286743 ], [ -5.439422130584717, 2.741936206817627, 1.3463435173034668 ], [ -3.7919883728027344, 3.0212557315826416, 3.3165152072906494 ], [ -5.049079895019531, 2.672358274459839, 4.559832572937012 ], [ -2.211503505706787, 2.5345680713653564, 4.018776893615723 ], [ -3.7398126125335693, 4.810266017913818, 3.0937225818634033 ], [ -0.46285155415534973, -2.9102914333343506, -2.0583837032318115 ], [ 0.2395094931125641, -4.137409210205078, -0.9427115321159363 ], [ 0.0986718088388443, -3.3672826290130615, -3.7139058113098145 ], [ -2.2495672702789307, -3.094576597213745, -2.0139880180358887 ] ]

C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Could you give me the Molecular Weight value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 546.20 g/mol.

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[C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][C][=C][S][Ring1][Branch1]

10007601

LogP

[ [ -0.6452406048774719, -0.4158511161804199, -2.641663074493408 ], [ -0.012853026390075684, -1.4551867246627808, -1.7029999494552612 ], [ -0.2747485935688019, -1.0947177410125732, -0.21152526140213013 ], [ 0.18188820779323578, 0.30255770683288574, 0.30571672320365906 ], [ 1.6545932292938232, 0.5908722281455994, -0.11479303240776062 ], [ 1.9809011220932007, 1.4131443500518799, -0.9661270380020142 ], [ 2.590304136276245, -0.19368813931941986, 0.5347755551338196 ], [ 3.972867965698242, -0.2389763742685318, 0.06652285903692245 ], [ 4.908651351928711, -0.5371791124343872, 1.2339180707931519 ], [ 4.067914962768555, -1.3263205289840698, -0.9800996780395508 ], [ 3.4646852016448975, -2.498652696609497, -0.8889320492744446 ], [ 3.763922929763794, -3.261699676513672, -2.0013010501861572 ], [ 4.572847366333008, -2.6575281620025635, -2.937783718109131 ], [ 4.994208812713623, -1.08351469039917, -2.4100964069366455 ], [ -0.8618213534355164, 1.3501014709472656, 0.12423721700906754 ], [ -0.5272312164306641, 2.5697414875030518, -0.6078811883926392 ], [ -1.9727734327316284, 1.2702053785324097, 0.9706920981407166 ], [ -2.151588201522827, 0.3053760528564453, 1.7151843309402466 ], [ -2.9872028827667236, 2.408836603164673, 0.922041118144989 ], [ -4.113279342651367, 2.2816548347473145, 1.9839121103286743 ], [ -5.439422130584717, 2.741936206817627, 1.3463435173034668 ], [ -3.7919883728027344, 3.0212557315826416, 3.3165152072906494 ], [ -5.049079895019531, 2.672358274459839, 4.559832572937012 ], [ -2.211503505706787, 2.5345680713653564, 4.018776893615723 ], [ -3.7398126125335693, 4.810266017913818, 3.0937225818634033 ], [ -0.46285155415534973, -2.9102914333343506, -2.0583837032318115 ], [ 0.2395094931125641, -4.137409210205078, -0.9427115321159363 ], [ 0.0986718088388443, -3.3672826290130615, -3.7139058113098145 ], [ -2.2495672702789307, -3.094576597213745, -2.0139880180358887 ] ]

C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Please provide me with the LogP value of this molecule. Determine the LogP value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is 5.60.

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[C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][C][=C][S][Ring1][Branch1]

10007601

Topological Polar Surface Area

[ [ -0.6452406048774719, -0.4158511161804199, -2.641663074493408 ], [ -0.012853026390075684, -1.4551867246627808, -1.7029999494552612 ], [ -0.2747485935688019, -1.0947177410125732, -0.21152526140213013 ], [ 0.18188820779323578, 0.30255770683288574, 0.30571672320365906 ], [ 1.6545932292938232, 0.5908722281455994, -0.11479303240776062 ], [ 1.9809011220932007, 1.4131443500518799, -0.9661270380020142 ], [ 2.590304136276245, -0.19368813931941986, 0.5347755551338196 ], [ 3.972867965698242, -0.2389763742685318, 0.06652285903692245 ], [ 4.908651351928711, -0.5371791124343872, 1.2339180707931519 ], [ 4.067914962768555, -1.3263205289840698, -0.9800996780395508 ], [ 3.4646852016448975, -2.498652696609497, -0.8889320492744446 ], [ 3.763922929763794, -3.261699676513672, -2.0013010501861572 ], [ 4.572847366333008, -2.6575281620025635, -2.937783718109131 ], [ 4.994208812713623, -1.08351469039917, -2.4100964069366455 ], [ -0.8618213534355164, 1.3501014709472656, 0.12423721700906754 ], [ -0.5272312164306641, 2.5697414875030518, -0.6078811883926392 ], [ -1.9727734327316284, 1.2702053785324097, 0.9706920981407166 ], [ -2.151588201522827, 0.3053760528564453, 1.7151843309402466 ], [ -2.9872028827667236, 2.408836603164673, 0.922041118144989 ], [ -4.113279342651367, 2.2816548347473145, 1.9839121103286743 ], [ -5.439422130584717, 2.741936206817627, 1.3463435173034668 ], [ -3.7919883728027344, 3.0212557315826416, 3.3165152072906494 ], [ -5.049079895019531, 2.672358274459839, 4.559832572937012 ], [ -2.211503505706787, 2.5345680713653564, 4.018776893615723 ], [ -3.7398126125335693, 4.810266017913818, 3.0937225818634033 ], [ -0.46285155415534973, -2.9102914333343506, -2.0583837032318115 ], [ 0.2395094931125641, -4.137409210205078, -0.9427115321159363 ], [ 0.0986718088388443, -3.3672826290130615, -3.7139058113098145 ], [ -2.2495672702789307, -3.094576597213745, -2.0139880180358887 ] ]

C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

I would like to know the Topological Polar Surface Area of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 90.50 Å².

[ [ 188, 3384, 2696, 2635 ], [ 1513, 2630, 1295, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2357, 2074, 1131, 934 ], [ 2521, 1041, 3297, 1709 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3441, 934 ], [ 1513, 1474, 3387, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 705, 799, 1709 ], [ 1513, 1876, 3029, 934 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 3173, 1709 ], [ 711, 188, 1446, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1446, 724 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3333, 724 ], [ 52, 52, 1446, 1412 ], [ 3042, 3239, 2529, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2894, 1918, 1174 ], [ 2521, 4044, 3824, 1174 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3824, 1174 ], [ 3948, 1074, 2612, 2677 ], [ 1513, 2818, 1255, 3302 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 2036, 3516 ], [ 711, 188, 3139, 3516 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3328, 849 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1255, 3302 ], [ 52, 52, 3139, 849 ], [ 2714, 1293, 1295, 724 ], [ 2609, 2375, 536, 724 ], [ 1738, 1084, 751, 724 ], [ 1738, 3597, 751, 33 ], [ 637, 1115, 3050, 1514 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]

[C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][C][=C][S][Ring1][Branch1]

10007601

Complexity

[ [ -0.6452406048774719, -0.4158511161804199, -2.641663074493408 ], [ -0.012853026390075684, -1.4551867246627808, -1.7029999494552612 ], [ -0.2747485935688019, -1.0947177410125732, -0.21152526140213013 ], [ 0.18188820779323578, 0.30255770683288574, 0.30571672320365906 ], [ 1.6545932292938232, 0.5908722281455994, -0.11479303240776062 ], [ 1.9809011220932007, 1.4131443500518799, -0.9661270380020142 ], [ 2.590304136276245, -0.19368813931941986, 0.5347755551338196 ], [ 3.972867965698242, -0.2389763742685318, 0.06652285903692245 ], [ 4.908651351928711, -0.5371791124343872, 1.2339180707931519 ], [ 4.067914962768555, -1.3263205289840698, -0.9800996780395508 ], [ 3.4646852016448975, -2.498652696609497, -0.8889320492744446 ], [ 3.763922929763794, -3.261699676513672, -2.0013010501861572 ], [ 4.572847366333008, -2.6575281620025635, -2.937783718109131 ], [ 4.994208812713623, -1.08351469039917, -2.4100964069366455 ], [ -0.8618213534355164, 1.3501014709472656, 0.12423721700906754 ], [ -0.5272312164306641, 2.5697414875030518, -0.6078811883926392 ], [ -1.9727734327316284, 1.2702053785324097, 0.9706920981407166 ], [ -2.151588201522827, 0.3053760528564453, 1.7151843309402466 ], [ -2.9872028827667236, 2.408836603164673, 0.922041118144989 ], [ -4.113279342651367, 2.2816548347473145, 1.9839121103286743 ], [ -5.439422130584717, 2.741936206817627, 1.3463435173034668 ], [ -3.7919883728027344, 3.0212557315826416, 3.3165152072906494 ], [ -5.049079895019531, 2.672358274459839, 4.559832572937012 ], [ -2.211503505706787, 2.5345680713653564, 4.018776893615723 ], [ -3.7398126125335693, 4.810266017913818, 3.0937225818634033 ], [ -0.46285155415534973, -2.9102914333343506, -2.0583837032318115 ], [ 0.2395094931125641, -4.137409210205078, -0.9427115321159363 ], [ 0.0986718088388443, -3.3672826290130615, -3.7139058113098145 ], [ -2.2495672702789307, -3.094576597213745, -2.0139880180358887 ] ]

C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

I need to know the Complexity of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 572.00.

[ [ 188, 3384, 2696, 2635 ], [ 1513, 2630, 1295, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2357, 2074, 1131, 934 ], [ 2521, 1041, 3297, 1709 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3441, 934 ], [ 1513, 1474, 3387, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 3948, 705, 799, 1709 ], [ 1513, 1876, 3029, 934 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 3173, 1709 ], [ 711, 188, 1446, 2341 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1446, 724 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3333, 724 ], [ 52, 52, 1446, 1412 ], [ 3042, 3239, 2529, 3856 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 2894, 1918, 1174 ], [ 2521, 4044, 3824, 1174 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 2700, 1802, 3824, 1174 ], [ 3948, 1074, 2612, 2677 ], [ 1513, 2818, 1255, 3302 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 188, 3384, 2036, 3516 ], [ 711, 188, 3139, 3516 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 3328, 849 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ], [ 52, 52, 1255, 3302 ], [ 52, 52, 3139, 849 ], [ 2714, 1293, 1295, 724 ], [ 2609, 2375, 536, 724 ], [ 1738, 1084, 751, 724 ], [ 1738, 3597, 751, 33 ], [ 637, 1115, 3050, 1514 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]

[C][C@H1][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=N][C][=C][S][Ring1][Branch1]

10008

Molecular Weight

[ [ -1.6858961582183838, 0.5716069340705872, -0.04497800022363663 ], [ -1.4151222705841064, -0.7986958622932434, -0.0405692420899868 ], [ -0.09467148780822754, -1.2460649013519287, -0.005339267663657665 ], [ 0.9417750239372253, -0.31931114196777344, 0.025125157088041306 ], [ 0.6820623278617859, 1.0469080209732056, 0.021012496203184128 ], [ -0.6381857991218567, 1.494874358177185, -0.014207450672984123 ], [ 2.21003794670105, -0.7493175268173218, 0.05895630642771721 ] ]

C1=CC=C(C=C1)F

I am interested in the Molecular Weight of this molecule, could you tell me what it is? If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 96.10 g/mol.

[ [ 2408, 572, 3810, -1 ], [ 2714, 1210, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]

[F][C][=C][C][=C][C][=C][Ring1][=Branch1]

10008

LogP

[ [ -1.6858961582183838, 0.5716069340705872, -0.04497800022363663 ], [ -1.4151222705841064, -0.7986958622932434, -0.0405692420899868 ], [ -0.09467148780822754, -1.2460649013519287, -0.005339267663657665 ], [ 0.9417750239372253, -0.31931114196777344, 0.025125157088041306 ], [ 0.6820623278617859, 1.0469080209732056, 0.021012496203184128 ], [ -0.6381857991218567, 1.494874358177185, -0.014207450672984123 ], [ 2.21003794670105, -0.7493175268173218, 0.05895630642771721 ] ]

C1=CC=C(C=C1)F

Could you give me the LogP value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is 2.30.

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[F][C][=C][C][=C][C][=C][Ring1][=Branch1]

10008

Topological Polar Surface Area

[ [ -1.6858961582183838, 0.5716069340705872, -0.04497800022363663 ], [ -1.4151222705841064, -0.7986958622932434, -0.0405692420899868 ], [ -0.09467148780822754, -1.2460649013519287, -0.005339267663657665 ], [ 0.9417750239372253, -0.31931114196777344, 0.025125157088041306 ], [ 0.6820623278617859, 1.0469080209732056, 0.021012496203184128 ], [ -0.6381857991218567, 1.494874358177185, -0.014207450672984123 ], [ 2.21003794670105, -0.7493175268173218, 0.05895630642771721 ] ]

C1=CC=C(C=C1)F

I am interested in the Topological Polar Surface Area of this molecule, could you tell me what it is? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 0.00 Å².

[ [ 2408, 572, 3810, -1 ], [ 2714, 1210, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]

[F][C][=C][C][=C][C][=C][Ring1][=Branch1]

10008

Complexity

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C1=CC=C(C=C1)F

I would like to know the Complexity of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 46.10.

[ [ 2408, 572, 3810, -1 ], [ 2714, 1210, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 1527, 4093, -1 ], [ 1738, 561, 4093, -1 ], [ -1, -1, -1, -1 ], [ -1, -1, -1, -1 ] ]

[F][C][=C][C][=C][C][=C][Ring1][=Branch1]

10008440

Molecular Weight

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CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O

Could you give me the Molecular Weight value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 582.50 g/mol.

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[C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Branch1][C][O][C][Branch2][Ring2][Ring2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][P][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Branch1][C][O][C][=C][Ring1][=N][C][C][Branch1][C][O][=C][C][=C][Ring1][#C][=C][Ring2][Ring2][=Branch1][O]

10008440

LogP

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CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O

I would like to know the LogP of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is 2.10.

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[C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Branch1][C][O][C][Branch2][Ring2][Ring2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][P][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Branch1][C][O][C][=C][Ring1][=N][C][C][Branch1][C][O][=C][C][=C][Ring1][#C][=C][Ring2][Ring2][=Branch1][O]

10008440

Topological Polar Surface Area

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CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O

Please provide the Topological Polar Surface Area value for this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 232.00 Å².

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[C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Branch1][C][O][C][Branch2][Ring2][Ring2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][P][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Branch1][C][O][C][=C][Ring1][=N][C][C][Branch1][C][O][=C][C][=C][Ring1][#C][=C][Ring2][Ring2][=Branch1][O]

10008440

Complexity

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CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O

Could you give me the Complexity value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 1040.00.

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[C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Branch1][C][O][C][Branch2][Ring2][Ring2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][P][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Branch1][C][O][C][=C][Ring1][=N][C][C][Branch1][C][O][=C][C][=C][Ring1][#C][=C][Ring2][Ring2][=Branch1][O]

10008613

Molecular Weight

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C[C@@H]1CC(=O)[C@@H]([C@@]2([C@H]1[C@]3(C[C@@H]([C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3([C@H]2O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)O)O

Please provide the Molecular Weight value for this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 592.70 g/mol.

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[C][C@@H1][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@][Branch1][C][O][C@H1][Ring1][=Branch2][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][C][C@@][Ring1][Ring1][C][C][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][=C][Ring2][Ring1][#Branch1][C@][Ring2][Ring1][=N][Branch1][C][C][C@H1][Ring2][Ring2][C][O]

10008613

LogP

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C[C@@H]1CC(=O)[C@@H]([C@@]2([C@H]1[C@]3(C[C@@H]([C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3([C@H]2O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)O)O

I would like to know the LogP of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is -0.20.

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[C][C@@H1][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@][Branch1][C][O][C@H1][Ring1][=Branch2][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][C][C@@][Ring1][Ring1][C][C][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][=C][Ring2][Ring1][#Branch1][C@][Ring2][Ring1][=N][Branch1][C][C][C@H1][Ring2][Ring2][C][O]

10008613

Topological Polar Surface Area

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C[C@@H]1CC(=O)[C@@H]([C@@]2([C@H]1[C@]3(C[C@@H]([C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3([C@H]2O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)O)O

Could you give me the Topological Polar Surface Area value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 177.00 Å².

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[C][C@@H1][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@][Branch1][C][O][C@H1][Ring1][=Branch2][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][C][C@@][Ring1][Ring1][C][C][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][=C][Ring2][Ring1][#Branch1][C@][Ring2][Ring1][=N][Branch1][C][C][C@H1][Ring2][Ring2][C][O]

10008613

Complexity

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C[C@@H]1CC(=O)[C@@H]([C@@]2([C@H]1[C@]3(C[C@@H]([C@@]45C[C@@]46CC[C@@H](C([C@@H]6CC=C5[C@@]3([C@H]2O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)O)O

I would like to know the Complexity of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 1220.00.

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[C][C@@H1][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@][Branch1][C][O][C@H1][Ring1][=Branch2][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][C][C@@][Ring1][Ring1][C][C][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][=C][Ring2][Ring1][#Branch1][C@][Ring2][Ring1][=N][Branch1][C][C][C@H1][Ring2][Ring2][C][O]

10008761

Molecular Weight

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CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O

Please provide me with the Molecular Weight value of this molecule. Determine the Molecular Weight value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 602.70 g/mol.

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[C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][Branch1][C][C][=O]

10008761

LogP

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CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O

What is the LogP of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is -1.90.

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[C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][Branch1][C][C][=O]

10008761

Topological Polar Surface Area

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CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O

I would like to know the Topological Polar Surface Area of this molecule, can you provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 209.00 Å².

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[C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][Branch1][C][C][=O]

10008761

Complexity

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CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O

What is the Complexity of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 843.00.

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[C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][O][C][Branch1][C][C][=O]

100094

Molecular Weight

[ [ -4.478551864624023, -1.8589246273040771, 0.5995869636535645 ], [ -5.548446178436279, -1.0864351987838745, 1.0438282489776611 ], [ -5.555830001831055, 0.30031493306159973, 0.8695376515388489 ], [ -4.451543807983398, 0.8808698058128357, 0.23411673307418823 ], [ -3.3643131256103516, 0.13578030467033386, -0.22271081805229187 ], [ -3.3821969032287598, -1.2621779441833496, -0.03385089337825775 ], [ -2.4308605194091797, 1.0532777309417725, -0.8062511086463928 ], [ -2.98349666595459, 2.3139381408691406, -0.692605197429657 ], [ -4.194115161895752, 2.1981000900268555, -0.06448262929916382 ], [ -1.107378602027893, 0.7188904285430908, -1.4195095300674438 ], [ 0.0802917629480362, 0.9213911294937134, -0.4735541045665741 ], [ 0.031115859746932983, -0.10364428162574768, 0.6569899916648865 ], [ 0.4161834120750427, -1.2633918523788452, 0.5804065465927124 ], [ -0.4964638352394104, 0.37300288677215576, 1.7995737791061401 ], [ 1.3469549417495728, 0.6963462233543396, -1.1898510456085205 ], [ 2.5099658966064453, 1.2868822813034058, -0.7438803911209106 ], [ 2.5267529487609863, 2.163461923599243, 0.11777129024267197 ], [ 3.8010315895080566, 0.7622975707054138, -1.4161804914474487 ], [ 4.104825496673584, -0.6915290355682373, -1.0320911407470703 ], [ 4.337977409362793, -0.918018639087677, 0.464441180229187 ], [ 4.56261682510376, -2.375196933746338, 0.7638745307922363 ], [ 4.55581521987915, -3.3044545650482178, -0.024966783821582794 ], [ 4.785871505737305, -2.590769052505493, 2.075185775756836 ], [ 4.9337944984436035, 1.6499882936477661, -1.0853785276412964 ] ]

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N

I need to know the Molecular Weight of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 333.34 g/mol.

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[N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

100094

LogP

[ [ -4.478551864624023, -1.8589246273040771, 0.5995869636535645 ], [ -5.548446178436279, -1.0864351987838745, 1.0438282489776611 ], [ -5.555830001831055, 0.30031493306159973, 0.8695376515388489 ], [ -4.451543807983398, 0.8808698058128357, 0.23411673307418823 ], [ -3.3643131256103516, 0.13578030467033386, -0.22271081805229187 ], [ -3.3821969032287598, -1.2621779441833496, -0.03385089337825775 ], [ -2.4308605194091797, 1.0532777309417725, -0.8062511086463928 ], [ -2.98349666595459, 2.3139381408691406, -0.692605197429657 ], [ -4.194115161895752, 2.1981000900268555, -0.06448262929916382 ], [ -1.107378602027893, 0.7188904285430908, -1.4195095300674438 ], [ 0.0802917629480362, 0.9213911294937134, -0.4735541045665741 ], [ 0.031115859746932983, -0.10364428162574768, 0.6569899916648865 ], [ 0.4161834120750427, -1.2633918523788452, 0.5804065465927124 ], [ -0.4964638352394104, 0.37300288677215576, 1.7995737791061401 ], [ 1.3469549417495728, 0.6963462233543396, -1.1898510456085205 ], [ 2.5099658966064453, 1.2868822813034058, -0.7438803911209106 ], [ 2.5267529487609863, 2.163461923599243, 0.11777129024267197 ], [ 3.8010315895080566, 0.7622975707054138, -1.4161804914474487 ], [ 4.104825496673584, -0.6915290355682373, -1.0320911407470703 ], [ 4.337977409362793, -0.918018639087677, 0.464441180229187 ], [ 4.56261682510376, -2.375196933746338, 0.7638745307922363 ], [ 4.55581521987915, -3.3044545650482178, -0.024966783821582794 ], [ 4.785871505737305, -2.590769052505493, 2.075185775756836 ], [ 4.9337944984436035, 1.6499882936477661, -1.0853785276412964 ] ]

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N

I would like to know the LogP of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is -2.70.

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[N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

100094

Topological Polar Surface Area

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C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N

Please provide me with the Topological Polar Surface Area value of this molecule. Determine the Topological Polar Surface Area value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 146.00 Å².

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[N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

100094

Complexity

[ [ -4.478551864624023, -1.8589246273040771, 0.5995869636535645 ], [ -5.548446178436279, -1.0864351987838745, 1.0438282489776611 ], [ -5.555830001831055, 0.30031493306159973, 0.8695376515388489 ], [ -4.451543807983398, 0.8808698058128357, 0.23411673307418823 ], [ -3.3643131256103516, 0.13578030467033386, -0.22271081805229187 ], [ -3.3821969032287598, -1.2621779441833496, -0.03385089337825775 ], [ -2.4308605194091797, 1.0532777309417725, -0.8062511086463928 ], [ -2.98349666595459, 2.3139381408691406, -0.692605197429657 ], [ -4.194115161895752, 2.1981000900268555, -0.06448262929916382 ], [ -1.107378602027893, 0.7188904285430908, -1.4195095300674438 ], [ 0.0802917629480362, 0.9213911294937134, -0.4735541045665741 ], [ 0.031115859746932983, -0.10364428162574768, 0.6569899916648865 ], [ 0.4161834120750427, -1.2633918523788452, 0.5804065465927124 ], [ -0.4964638352394104, 0.37300288677215576, 1.7995737791061401 ], [ 1.3469549417495728, 0.6963462233543396, -1.1898510456085205 ], [ 2.5099658966064453, 1.2868822813034058, -0.7438803911209106 ], [ 2.5267529487609863, 2.163461923599243, 0.11777129024267197 ], [ 3.8010315895080566, 0.7622975707054138, -1.4161804914474487 ], [ 4.104825496673584, -0.6915290355682373, -1.0320911407470703 ], [ 4.337977409362793, -0.918018639087677, 0.464441180229187 ], [ 4.56261682510376, -2.375196933746338, 0.7638745307922363 ], [ 4.55581521987915, -3.3044545650482178, -0.024966783821582794 ], [ 4.785871505737305, -2.590769052505493, 2.075185775756836 ], [ 4.9337944984436035, 1.6499882936477661, -1.0853785276412964 ] ]

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N

What is the Complexity of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Complexity for the input molecule is 484.00.

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[N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

10011601

Molecular Weight

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C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC

Could you give me the Molecular Weight value of this molecule? If uncertain, provide an estimate. Respond with the numerical value only.

The Molecular Weight for the input molecule is 1209.40 g/mol.

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[C][O][C@][Branch2][Ring1][N][C][C][C@@H1][Branch1][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][=Branch1][#C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring2][Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][C][C@][Ring2][Ring2][S][Branch1][C][C][C@H1][Ring2][Branch1][Branch1][C][C][C@][Ring2][Branch1][=Branch2][Branch1][C][C][C@H1][Ring2][Branch1][=N][C@@H1][Ring2][=Branch1][P][C]

10011601

LogP

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C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC

I need to know the LogP of this molecule, could you please provide it? If uncertain, provide an estimate. Respond with the numerical value only.

The LogP for the input molecule is -1.80.

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[C][O][C@][Branch2][Ring1][N][C][C][C@@H1][Branch1][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][=Branch1][#C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring2][Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][C][C@][Ring2][Ring2][S][Branch1][C][C][C@H1][Ring2][Branch1][Branch1][C][C][C@][Ring2][Branch1][=Branch2][Branch1][C][C][C@H1][Ring2][Branch1][=N][C@@H1][Ring2][=Branch1][P][C]

10011601

Topological Polar Surface Area

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C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC

Please provide me with the Topological Polar Surface Area value of this molecule. Determine the Topological Polar Surface Area value of this molecule. If uncertain, provide an estimate. Respond with the numerical value only.

The Topological Polar Surface Area for the input molecule is 394.00 Å².

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[C][O][C@][Branch2][Ring1][N][C][C][C@@H1][Branch1][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][=Branch1][#C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring2][Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][C][C@][Ring2][Ring2][S][Branch1][C][C][C@H1][Ring2][Branch1][Branch1][C][C][C@][Ring2][Branch1][=Branch2][Branch1][C][C][C@H1][Ring2][Branch1][=N][C@@H1][Ring2][=Branch1][P][C]

Datasets:

QizhiPei
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e3fp-pubchem-com

3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling

Models trained or fine-tuned on QizhiPei/e3fp-pubchem-com

QizhiPei/3d-molt5-base-3d-molm-generalist

QizhiPei/3d-molt5-base-pubchem-com

Collection including QizhiPei/e3fp-pubchem-com

3D-MolT5