image
array 3D | conditioning
array 3D | smiles
stringlengths 1
1.11k
| description
stringlengths 27
6.24k
|
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| "Bivalirudin is a synthetic 20 residue peptide (thrombin inhibitor) which reversibly inhibits thromb(...TRUNCATED)
|
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| "Goserelin is a synthetic hormone. In men, it stops the production of the hormone testosterone, whic(...TRUNCATED)
|
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| "Gramcidin D is a heterogeneous mixture of three antibiotic compounds, gramicidins A, B and C, makin(...TRUNCATED)
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| "NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(...TRUNCATED)
| "Desmopressin (dDAVP), a synthetic analogue of 8-arginine vasopressin (ADH), is an antidiuretic pept(...TRUNCATED)
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[[[1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1(...TRUNCATED)
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| "Cetrorelix is a man-made hormone that blocks the effects of Gonadotropin Releasing Hormone (GnRH). (...TRUNCATED)
|
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| "Daptomycin is a cyclic lipopeptide antibacterial agent with a broad spectrum of activity against Gr(...TRUNCATED)
|
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| "Cyclosporine is a calcineurin inhibitor known for its immunomodulatory properties that prevent orga(...TRUNCATED)
|
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| "CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=(...TRUNCATED)
| "Synthetic decapeptide antagonist to gonadotropin releasing hormone (GnRH). It is marketed by Praeci(...TRUNCATED)
|
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CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
| "This is the active form of vitamin B6 serving as a coenzyme for synthesis of amino acids, neurotran(...TRUNCATED)
|
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| [[[-0.013990737497806549,-0.05897491052746773,0.10080797970294952,-0.14520318806171417,-0.0333572030(...TRUNCATED)
| "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\\C(C)=C1/N=C(/C=C3\\N=C(\\C(\\C)=C4\\[C@@H](CCC(N(...TRUNCATED)
| "Cyanocobalamin (commonly known as Vitamin B12) is a highly complex, essential vitamin, owing its na(...TRUNCATED)
|
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