Talk:K12 Thalidomide
From Embryology
Published on 1 Sep 2013 My poor pregnant wife vomited a lot after lunch. She almost vomited everything she ate. Sorry that I cannot finish shooting as I do need to help rub her back and carry her to rest on bed. Voice is shut off as usual.
JSON format
{
"PC_Compounds": [
{
"id": {
"id": {
"cid": 5426
}
},
"atoms": {
"aid": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
18,
19,
20,
21,
22,
23,
24,
25,
26,
27,
28,
29
],
"element": [
8,
8,
8,
8,
7,
7,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
]
},
"bonds": {
"aid1": [
1,
2,
3,
4,
5,
5,
5,
6,
6,
6,
7,
7,
7,
8,
8,
8,
9,
9,
9,
11,
12,
13,
13,
14,
16,
16,
17,
17,
18,
18,
19
],
"aid2": [
10,
11,
12,
15,
7,
11,
12,
10,
15,
25,
8,
10,
20,
9,
21,
22,
15,
23,
24,
13,
14,
14,
16,
17,
18,
26,
19,
27,
19,
28,
29
],
"order": [
2,
2,
2,
2,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
2,
2,
1,
1,
1,
1,
2,
1,
1
]
},
"stereo": [
{
"tetrahedral": {
"center": 7,
"above": 5,
"top": 8,
"bottom": 10,
"below": 20,
"parity": 3,
"type": 1
}
}
],
"coords": [
{
"type": [
2,
5,
10
],
"aid": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
18,
19,
20,
21,
22,
23,
24,
25,
26,
27,
28,
29
],
"conformers": [
{
"x": [
-1.3627,
0.9379,
0.0584,
-5.3111,
0.077,
-3.3101,
-1.3347,
-1.9692,
-3.4598,
-1.9655,
1.0469,
0.6093,
2.3248,
2.0603,
-4.1199,
3.6128,
3.07,
4.6522,
4.3834,
-1.4921,
-1.5129,
-1.8238,
-3.6513,
-3.9287,
-3.7549,
3.8197,
2.8637,
5.6832,
5.2109
],
"y": [
-0.0566,
2.5651,
-1.9761,
-0.5033,
0.3778,
-0.2925,
0.6544,
0.0997,
0.3851,
0.0514,
1.3548,
-0.8932,
0.6439,
-0.7154,
-0.1933,
1.1348,
-1.6556,
0.2004,
-1.1813,
1.739,
0.5551,
-0.9831,
1.4639,
-0.0552,
-0.6702,
2.1966,
-2.7177,
0.5416,
-1.8857
],
"z": [
-2.1582,
-0.028,
0.2363,
0.1689,
0.1191,
-0.9555,
0.1522,
1.4171,
1.4006,
-1.0905,
0.036,
0.167,
0.0405,
0.1197,
0.1717,
-0.0207,
0.1417,
0.0009,
0.0812,
0.0998,
2.304,
1.5052,
1.4138,
2.2873,
-1.7877,
-0.0829,
0.203,
-0.0453,
0.0959
],
"data": [
{
"urn": {
"label": "Conformer",
"name": "ID",
"datatype": 11,
"version": "2.1",
"software": "PubChem",
"source": "ncbi.nlm.nih.gov",
"release": "2009.12.11"
},
"value": {
"sval": "0000153200000001"
}
},
{
"urn": {
"label": "Energy",
"name": "MMFF94 NoEstat",
"datatype": 7,
"version": "1.7.2",
"software": "Szybki",
"source": "openeye.com",
"release": "2012.11.26"
},
"value": {
"fval": 46.1967
}
},
{
"urn": {
"label": "Feature",
"name": "Self Overlap",
"datatype": 7,
"version": "2.1",
"software": "PubChem",
"source": "ncbi.nlm.nih.gov",
"release": "2012.11.26"
},
"value": {
"fval": 40.69
}
},
{
"urn": {
"label": "Fingerprint",
"name": "Shape",
"datatype": 2,
"version": "2.1",
"software": "PubChem",
"source": "ncbi.nlm.nih.gov",
"release": "2012.11.26"
},
"value": {
"slist": [
"11471102 20 18408042922712382880",
"12236239 1 17918276454529836369",
"13140716 1 18193271030408914688",
"13581323 91 16558751204478439297",
"13862211 1 18337108969782389114",
"13965767 371 16768770995138229073",
"14386348 63 17530969085588705867",
"15309172 13 18409169913129708962",
"15375462 189 18131627872589928640",
"15375462 478 18059580169914690713",
"15848702 151 18130514024124240566",
"16945 1 18409164407751567288",
"17844478 74 17821447941438940004",
"1813 80 18271259218194158420",
"18175812 5 17531252798280248787",
"18186145 218 18413386532059322934",
"18785283 64 17898857009004528396",
"19422 9 17988925552439394287",
"200 152 18341891892327760401",
"20279233 1 17458348537007009834",
"20344682 1 17530682108764371711",
"20645477 70 18334293128719042882",
"21267235 1 18411989031485210350",
"22094290 60 16226047764694693101",
"23175994 123 18114187414565424292",
"23402539 116 18271522014252375808",
"23557571 272 16732979795472436108",
"23559900 14 16153704276633714122",
"2748010 2 18192704554213451068",
"3286 77 18333453161922382821",
"465052 167 18342746251591490847",
"474 4 17914041256089113392",
"5104073 3 18412266095008048769",
"77492 1 17846498140576878393"
]
}
},
{
"urn": {
"label": "Shape",
"name": "Multipoles",
"datatype": 8,
"version": "1.8.3",
"software": "OEShape",
"source": "openeye.com",
"release": "2012.11.26"
},
"value": {
"fvec": [
357.57,
8.82,
1.59,
1.12,
2.15,
0.28,
0.26,
-1.49,
-0.71,
-1.36,
-0.07,
1.15,
0,
-0.25
]
}
},
{
"urn": {
"label": "Shape",
"name": "Self Overlap",
"datatype": 7,
"version": "2.1",
"software": "PubChem",
"source": "ncbi.nlm.nih.gov",
"release": "2012.11.26"
},
"value": {
"fval": 795.302
}
},
{
"urn": {
"label": "Shape",
"name": "Volume",
"datatype": 7,
"version": "1.8.3",
"software": "OEShape",
"source": "openeye.com",
"release": "2012.11.26"
},
"value": {
"fval": 188.9
}
}
]
}
],
"data": [
{
"urn": {
"label": "Conformer",
"name": "RMSD",
"datatype": 7,
"release": "2009.12.11"
},
"value": {
"fval": 0.6
}
},
{
"urn": {
"label": "Diverse Conformer",
"name": "ID List",
"datatype": 6,
"release": "2010.05.05"
},
"value": {
"ivec": [
1,
8,
4,
6,
5,
3,
7,
2
]
}
}
]
}
],
"props": [
{
"urn": {
"label": "Charge",
"name": "MMFF94 Partial",
"datatype": 2,
"version": "1.7.6",
"software": "OEChem",
"source": "openeye.com",
"release": "2012.05.21"
},
"value": {
"slist": [
"23",
"1 -0.57",
"10 0.57",
"11 0.54",
"12 0.54",
"13 0.09",
"14 0.09",
"15 0.57",
"16 -0.15",
"17 -0.15",
"18 -0.15",
"19 -0.15",
"2 -0.57",
"25 0.37",
"26 0.15",
"27 0.15",
"28 0.15",
"29 0.15",
"3 -0.57",
"4 -0.57",
"5 -0.42",
"6 -0.49",
"7 0.36",
"9 0.06"
]
}
},
{
"urn": {
"label": "Count",
"name": "Effective Rotor",
"datatype": 7,
"version": "1.7.6",
"software": "OEChem",
"source": "ncbi.nlm.nih.gov",
"release": "2012.01.18"
},
"value": {
"fval": 2
}
},
{
"urn": {
"label": "Features",
"name": "Pharmacophore",
"datatype": 2,
"parameters": "ImplicitMillsDean merged",
"version": "1.8.1",
"software": "OEShape",
"source": "openeye.com",
"release": "2012.05.21"
},
"value": {
"slist": [
"8",
"1 1 acceptor",
"1 2 acceptor",
"1 3 acceptor",
"1 4 acceptor",
"1 6 donor",
"5 5 11 12 13 14 rings",
"6 13 14 16 17 18 19 rings",
"6 6 7 8 9 10 15 rings"
]
}
}
],
"count": {
"heavy_atom": 19,
"atom_chiral": 1,
"atom_chiral_def": 0,
"atom_chiral_undef": 1,
"bond_chiral": 0,
"bond_chiral_def": 0,
"bond_chiral_undef": 0,
"isotope_atom": 0,
"covalent_unit": 1,
"tautomers": 3
}
}
]
}