diff --git a/README.md b/README.md new file mode 100644 index 0000000000000000000000000000000000000000..681f4f8c1ba806225a06ec07f3d9635190b05855 --- /dev/null +++ b/README.md @@ -0,0 +1,19 @@ +# BACE Dataset + +This dataset contains BACE molecule images generated from SMILES strings. + +## Dataset Structure + +- Question: The question associated with the molecule +- Answer: The answer associated with the molecule +- TargetMolecule: SMILES representation of the molecule +- SampleMethod: Method used for sampling +- SampleNum: Sample number +- SampleRep: Sample representation +- file_name: The file path to the molecule image + +## Usage + +from datasets import load_dataset + +dataset = load_dataset("ChemVision/BACE-V-SMILES-2") diff --git a/dataset_info.json b/dataset_info.json new file mode 100644 index 0000000000000000000000000000000000000000..4946d78c29ea9451f1781935535f6c2c31ba881f --- /dev/null +++ b/dataset_info.json @@ -0,0 +1,43 @@ +{ + "description": "BACE dataset with molecule images", + "citation": "", + "homepage": "https://huggingface.co/datasets/ChemVision/BACE-V-SMILES-2", + "license": "", + "features": { + "Question": { + "dtype": "string", + "_type": "Value" + }, + "Answer": { + "dtype": "string", + "_type": "Value" + }, + "TargetMolecule": { + "dtype": "string", + "_type": "Value" + }, + "SampleMethod": { + "dtype": "string", + "_type": "Value" + }, + "SampleNum": { + "dtype": "int64", + "_type": "Value" + }, + "SampleRep": { + "dtype": "string", + "_type": "Value" + }, + "file_name": { + "dtype": "string", + "_type": "Value" + } + }, + "splits": { + "train": { + "name": "train", + "num_bytes": null, + "num_examples": 1200 + } + } +} \ No newline at end of file diff --git a/train/images/molecule_0.png b/train/images/molecule_0.png new file mode 100644 index 0000000000000000000000000000000000000000..92bc70688cc5d6a71f2ffd59cadafb93e5b2f1ed --- /dev/null +++ b/train/images/molecule_0.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38d6254b4c9b33d7aa6b58f2d86de6e76856f89c0ff1e21dd5ec7d9af011ba5b +size 10344 diff --git a/train/images/molecule_1.png b/train/images/molecule_1.png new file mode 100644 index 0000000000000000000000000000000000000000..eec6a73c5da80b0ae0333ce0e6f0674f5e6f4bea --- /dev/null +++ b/train/images/molecule_1.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c03f581733bef5ef73004f6c52aebd6387bf48ad801b600fb233f2dae8adf22 +size 11584 diff --git a/train/images/molecule_10.png b/train/images/molecule_10.png new file mode 100644 index 0000000000000000000000000000000000000000..cdd42217e60ce7575d4b12c20d906e94fe2c80dc --- /dev/null +++ b/train/images/molecule_10.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b13c211c30511397fcaaa034b26e2cb07e577010bb6d42922bd629ac550365bb +size 8979 diff --git a/train/images/molecule_100.png b/train/images/molecule_100.png new file mode 100644 index 0000000000000000000000000000000000000000..f1b118273ecdcc6dfd29d2c54c7f9c8c4a2229ae --- /dev/null +++ b/train/images/molecule_100.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bb38d41eb66d3861191aec2726f76290bf420cc039b14de8f230e3acd41dc9f6 +size 10529 diff --git a/train/images/molecule_1000.png b/train/images/molecule_1000.png new file mode 100644 index 0000000000000000000000000000000000000000..98461c53c6bfab5d81fb34f1aaadf26135599316 --- /dev/null +++ b/train/images/molecule_1000.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4742b54c169733e36691c235d92dfaf292e26fd9f6a29c1d9d0b12e52ba7e9fb +size 12339 diff --git a/train/images/molecule_1001.png b/train/images/molecule_1001.png new file mode 100644 index 0000000000000000000000000000000000000000..9977bd81c2c06539210bc1a7ea668da363096973 --- /dev/null +++ b/train/images/molecule_1001.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bbd0636c4d4fdc79e04288f15237a14c642d6a6df918345003029eaced9d0909 +size 13797 diff --git a/train/images/molecule_1002.png b/train/images/molecule_1002.png new file mode 100644 index 0000000000000000000000000000000000000000..6a5d264989fae736c0b6dd3904ccd278f2839531 --- /dev/null +++ b/train/images/molecule_1002.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ad101e3869264a0519928ff15b4b2bb36e8f25bda8faab3f6fb485665d715617 +size 8673 diff --git a/train/images/molecule_1003.png b/train/images/molecule_1003.png new file mode 100644 index 0000000000000000000000000000000000000000..ecf44f3855cc4f0ad95c1296b8b3646c0e29a143 --- /dev/null +++ b/train/images/molecule_1003.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0a980fdf950ae345b88747a5eb362db6eb9fb4d36eaef8661ad04779d43af67 +size 9080 diff --git a/train/images/molecule_1004.png b/train/images/molecule_1004.png new file mode 100644 index 0000000000000000000000000000000000000000..620baddb055553db4f08295f3d651190d0ee1143 --- /dev/null +++ b/train/images/molecule_1004.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6823273d8d59f2762990e039531fce58c83c514357ce57a1f78cb2e49d1588f2 +size 10485 diff --git a/train/images/molecule_1005.png b/train/images/molecule_1005.png new file mode 100644 index 0000000000000000000000000000000000000000..460f98b4e67d0ecb487bf06e7a2c1de2012e6381 --- /dev/null +++ b/train/images/molecule_1005.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2224e05783c2117567ae764ab41010fb84132e41546f031efbfb3865388db47c +size 10574 diff --git a/train/images/molecule_1006.png b/train/images/molecule_1006.png new file mode 100644 index 0000000000000000000000000000000000000000..490743315c8765c14bdfcef63aec67120babd42c --- /dev/null +++ b/train/images/molecule_1006.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0bf2d07ca693b087e444de948b1a0ddbb3a791e86b43d103c83a8edba7c384d5 +size 9261 diff --git a/train/images/molecule_1007.png b/train/images/molecule_1007.png new file mode 100644 index 0000000000000000000000000000000000000000..7f7c2f4d4b23401364338731667e2dc6790ccc31 --- /dev/null +++ b/train/images/molecule_1007.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d1709e14b663150b5f3eab1a253ed179daa226f9586c98eb55c8c440105016cf +size 12415 diff --git a/train/images/molecule_1008.png b/train/images/molecule_1008.png new file mode 100644 index 0000000000000000000000000000000000000000..72d0e39c402e0983199bc0b61f2de40bb2c87cb2 --- /dev/null +++ b/train/images/molecule_1008.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8f05ad6e493bbc634d3448337a92a413a7be1a4a59aff757ff7a5fee5fd5c537 +size 12715 diff --git a/train/images/molecule_1009.png b/train/images/molecule_1009.png new file mode 100644 index 0000000000000000000000000000000000000000..c8acec61fd19705b101977373ff8e9e6a1e8d815 --- /dev/null +++ b/train/images/molecule_1009.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e05e82d19209b0b0dab69b0726609d4fd18b083ff5bee57eb5967d2943d99b2 +size 11217 diff --git a/train/images/molecule_101.png b/train/images/molecule_101.png new file mode 100644 index 0000000000000000000000000000000000000000..08bb5a7e1a5dbc098f920b132fa52416289fff02 --- /dev/null +++ b/train/images/molecule_101.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f81e3b437b9dce6abc8a168e2615858be3cf7d86aea00b121e06e30b810e6ff8 +size 12717 diff --git a/train/images/molecule_1010.png b/train/images/molecule_1010.png new file mode 100644 index 0000000000000000000000000000000000000000..c72e25d1042ddd0dfdf817518740f75a8c31527e --- /dev/null +++ b/train/images/molecule_1010.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0aef01a21d1d33595c7223457fb60dc0e27a01a220eb3d6d74d57b4111957e55 +size 10602 diff --git a/train/images/molecule_1011.png b/train/images/molecule_1011.png new file mode 100644 index 0000000000000000000000000000000000000000..b231fbf44019effc1754e0bd5b2a2edf8209221f --- /dev/null +++ b/train/images/molecule_1011.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a1b51e7b45607f3772e5526e4bdac4526eb109af696ec078e76b982697bbbc1 +size 9718 diff --git a/train/images/molecule_1012.png b/train/images/molecule_1012.png new file mode 100644 index 0000000000000000000000000000000000000000..696a3d4cba9414183bd8fa61befea3647386d877 --- /dev/null +++ b/train/images/molecule_1012.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fd3ad66164c02284bdf33dd5254f1eb8b161b5676b5ee63563e9672263c7e410 +size 12881 diff --git a/train/images/molecule_1013.png b/train/images/molecule_1013.png new file mode 100644 index 0000000000000000000000000000000000000000..deaba10f09362f23b034c15032bcdfcbe8ce5d44 --- /dev/null +++ b/train/images/molecule_1013.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa7bacbfc05dbbff73ef1667105e47870f31fd0e87496e091abd078460c40c70 +size 13996 diff --git a/train/images/molecule_1014.png b/train/images/molecule_1014.png new file mode 100644 index 0000000000000000000000000000000000000000..8a9eecb010765ee4bea5fc7741427ad04cb0e3f6 --- /dev/null +++ b/train/images/molecule_1014.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:feb10a18c46bf220004b9e2a1dc9ee917e4c66422f8e6483c53bcd4ec86b1274 +size 13262 diff --git a/train/images/molecule_1015.png b/train/images/molecule_1015.png new file mode 100644 index 0000000000000000000000000000000000000000..7b6abca1ebce868f18b29dba9fc8f1c6e1db745e --- /dev/null +++ b/train/images/molecule_1015.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b25ced7f5d51dc0befa3c536dea951f5caf38256eae44bf9d02aeb468b0f0d3a +size 9287 diff --git a/train/images/molecule_1016.png b/train/images/molecule_1016.png new file mode 100644 index 0000000000000000000000000000000000000000..bb05048f2cfa48515b268f98292552377592512a --- /dev/null +++ b/train/images/molecule_1016.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e11cd587bae867baa0d6a36ab541133bcf909d190f9c0302f783bf27ce6be22 +size 13102 diff --git a/train/images/molecule_1017.png b/train/images/molecule_1017.png new file mode 100644 index 0000000000000000000000000000000000000000..91bb7dd603ccd52f87e4ad1818004e8b05d68140 --- /dev/null +++ b/train/images/molecule_1017.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:90c324f58fc90890683d4a15ec793f7f49578b42f5bcf4f58eb082b4454dfc39 +size 13322 diff --git a/train/images/molecule_1018.png b/train/images/molecule_1018.png new file mode 100644 index 0000000000000000000000000000000000000000..bfc4251607119fa4d627e3051d1c3ce9888c1b5e --- /dev/null +++ b/train/images/molecule_1018.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f14b954ff1406c12ca0bf708f841c73ae4d5117b628bf7d2f5370713c7d9e832 +size 10192 diff --git a/train/images/molecule_1019.png b/train/images/molecule_1019.png new file mode 100644 index 0000000000000000000000000000000000000000..1068cbea711d57a26c6a64705539ef8dda41ec20 --- /dev/null +++ b/train/images/molecule_1019.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b756bb7b3669f2419a7743480b6cdd9912468705442d394e0583ac5a4521aa3 +size 11947 diff --git a/train/images/molecule_102.png b/train/images/molecule_102.png new file mode 100644 index 0000000000000000000000000000000000000000..19d9ce2b4b8f1bb2dff24def740c9abded998b67 --- /dev/null +++ b/train/images/molecule_102.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5571fc8664209f50e1b13af36bf783219541d2b65b2ba943ab6cb360728ed604 +size 11159 diff --git a/train/images/molecule_1020.png b/train/images/molecule_1020.png new file mode 100644 index 0000000000000000000000000000000000000000..c909c5010db1e7c4ef33109525c3e7801815b659 --- /dev/null +++ b/train/images/molecule_1020.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:35d1dcc9fef2edf1ac4e6db05f426bde2a32407a1af0b0faa4a9130864e52d48 +size 8527 diff --git a/train/images/molecule_1021.png b/train/images/molecule_1021.png new file mode 100644 index 0000000000000000000000000000000000000000..6d5ac2717e56ddbc650fe0540eb0f0b069dfda06 --- /dev/null +++ b/train/images/molecule_1021.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1f57a30cddcb06fcee6fde8c35f57425f45aaf8a18dd9923258df415c5b9059 +size 11637 diff --git a/train/images/molecule_1022.png b/train/images/molecule_1022.png new file mode 100644 index 0000000000000000000000000000000000000000..82a5c7174cd1a56d5dc6d5e298823fc006f018d1 --- /dev/null +++ b/train/images/molecule_1022.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4dd6e0b84345b285ca3cd45e7cf47aca5a2e29a067d6f734841b1d532ff96abb +size 13919 diff --git a/train/images/molecule_1023.png b/train/images/molecule_1023.png new file mode 100644 index 0000000000000000000000000000000000000000..be10ccd77fe3be4810b4793952a283f0afcdde7f --- /dev/null +++ b/train/images/molecule_1023.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:384ad36a179a2f43ed98ec00d931b8849a0163d04decc442d7557675a1ae34d4 +size 8687 diff --git a/train/images/molecule_1024.png b/train/images/molecule_1024.png new file mode 100644 index 0000000000000000000000000000000000000000..e8d52e7f3ec36fca6fdbabae6885fea1de9f938a --- /dev/null +++ b/train/images/molecule_1024.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d32543002677fcce245ef1f96e1fc12c45dae611e36ae5a8d2e79dc9f727a03 +size 12441 diff --git a/train/images/molecule_1025.png b/train/images/molecule_1025.png new file mode 100644 index 0000000000000000000000000000000000000000..2a5e264cf086d687a700ed73e182e7eafc48cf50 --- /dev/null +++ b/train/images/molecule_1025.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d91d85cbf7b4bff16d5ac78be4a8eca644fa3e76e3d60e514e488cd5bf24649 +size 13130 diff --git a/train/images/molecule_1026.png b/train/images/molecule_1026.png new file mode 100644 index 0000000000000000000000000000000000000000..4509758468734c0f3b65afcd3cd41b11dc0d7a5b --- /dev/null +++ b/train/images/molecule_1026.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6439162a68a9caf6fa0b6df0c5c0ea1749a2e3ad4b660637af035ea7dd8de58f +size 8926 diff --git a/train/images/molecule_1027.png b/train/images/molecule_1027.png new file mode 100644 index 0000000000000000000000000000000000000000..883c0c318e8c40a0a5dcb6e82658dacf573942f5 --- /dev/null +++ b/train/images/molecule_1027.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f347d11f7f46735a6c94003efdf32530207dd7fda8c555809ab438e246ad2fc1 +size 10686 diff --git a/train/images/molecule_1028.png b/train/images/molecule_1028.png new file mode 100644 index 0000000000000000000000000000000000000000..ae2c82afd5783f3d5a965314505ef74fca300a3b --- /dev/null +++ b/train/images/molecule_1028.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:52ef1f25fed8e1596fd46fb5be13cf7472706d162a9bf1feca4083de4e271207 +size 13019 diff --git a/train/images/molecule_1029.png b/train/images/molecule_1029.png new file mode 100644 index 0000000000000000000000000000000000000000..43c988ccf1f6a279a8776a6690aef286b5bbdf52 --- /dev/null +++ b/train/images/molecule_1029.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8caa1ddcb2bcdc3eeec5ed3ddf45abb24a53bfdd09051cab9782bc7e3186946c +size 14184 diff --git a/train/images/molecule_103.png b/train/images/molecule_103.png new file mode 100644 index 0000000000000000000000000000000000000000..c84447c26dc95477ca69fccc4dcb00509af74f42 --- /dev/null +++ b/train/images/molecule_103.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06a8b9f5fe326aea67197974bf9b1991f0a838626dcdd5aee898d13cb29db9f4 +size 9480 diff --git a/train/images/molecule_1030.png b/train/images/molecule_1030.png new file mode 100644 index 0000000000000000000000000000000000000000..5194fb03aa393d6d59ecc697bab0dcb9ad30cd6b --- /dev/null +++ b/train/images/molecule_1030.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38deb4aa363cbb99bf649740a135e3b534c12af6fa4d9be5fabbe121abe83d98 +size 13408 diff --git a/train/images/molecule_1031.png b/train/images/molecule_1031.png new file mode 100644 index 0000000000000000000000000000000000000000..d3ea58e5c3067a466ade0802140bafefadf89dd8 --- /dev/null +++ b/train/images/molecule_1031.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5fbd0edcd1b53648a6a203f467ad35235eb0bc3becb17f62f36fd4e5ddd3bde9 +size 12371 diff --git a/train/images/molecule_1032.png b/train/images/molecule_1032.png new file mode 100644 index 0000000000000000000000000000000000000000..0860cacfda8c691cb6ea1c408044a2e8519051df --- /dev/null +++ b/train/images/molecule_1032.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1aa126f0e728fdb95406efb261151b1ec198d235704a010f7da1b47f6423e174 +size 9466 diff --git a/train/images/molecule_1033.png b/train/images/molecule_1033.png new file mode 100644 index 0000000000000000000000000000000000000000..5da2549df22b05bccba62617ecf01f8767d53728 --- /dev/null +++ b/train/images/molecule_1033.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5b64f7d89553847057cd2986c2d8b85aa8b3f0a98896c491f107b88b4319d96a +size 12082 diff --git a/train/images/molecule_1034.png b/train/images/molecule_1034.png new file mode 100644 index 0000000000000000000000000000000000000000..7facd43d35705d3d41d1b49933984a13aa3601cf --- /dev/null +++ b/train/images/molecule_1034.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b3cd5c7905b00623e2be95cdddade22362dcc16098ee5982bd2e74b8e3afbe4 +size 14195 diff --git a/train/images/molecule_1035.png b/train/images/molecule_1035.png new file mode 100644 index 0000000000000000000000000000000000000000..a8446d67d8326d046acd4868d0c7818b4bb35fbc --- /dev/null +++ b/train/images/molecule_1035.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1080ea8fe6d25e4ab21ca6b277d1189f7497b46216bfeb65acc29fe64caba9fb +size 9127 diff --git a/train/images/molecule_1036.png b/train/images/molecule_1036.png new file mode 100644 index 0000000000000000000000000000000000000000..9cfe51f05140d336bd831323a0975f47ed9f8897 --- /dev/null +++ b/train/images/molecule_1036.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6185b2642b67d58b945b7f553ed85627580d39c218c5111531ca868d13464bc6 +size 10558 diff --git a/train/images/molecule_1037.png b/train/images/molecule_1037.png new file mode 100644 index 0000000000000000000000000000000000000000..701bdfff7e00f27701ccc71d190fa166c75ee703 --- /dev/null +++ b/train/images/molecule_1037.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11bcc395509e3cb54f37f32fc0a22c5c6b2e2750e71b462bff2cd391d794df27 +size 12028 diff --git a/train/images/molecule_1038.png b/train/images/molecule_1038.png new file mode 100644 index 0000000000000000000000000000000000000000..c2bbcfea616628b9262e9a106d96c3cf5611b63a --- /dev/null +++ b/train/images/molecule_1038.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e84ef0125274fb808628d696bb907cbed61cb626cd008f18c203198e590aab2 +size 13101 diff --git a/train/images/molecule_1039.png b/train/images/molecule_1039.png new file mode 100644 index 0000000000000000000000000000000000000000..43c2de4670cb24457983640f74760e12d66b9023 --- /dev/null +++ b/train/images/molecule_1039.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afbbcaa3597331b72a51b4383d620eec40cb788815018e9701b4247fc51fd16c +size 9899 diff --git a/train/images/molecule_104.png b/train/images/molecule_104.png new file mode 100644 index 0000000000000000000000000000000000000000..a6baa351704b096488107db117c3e61177823d11 --- /dev/null +++ b/train/images/molecule_104.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:81190123a30baf9663702a28926e88224f3306df44a913f2df20de288a68fd74 +size 11343 diff --git a/train/images/molecule_1040.png b/train/images/molecule_1040.png new file mode 100644 index 0000000000000000000000000000000000000000..52e8583b2bc35c838337d0ba32c4b2a9083d5c01 --- /dev/null +++ b/train/images/molecule_1040.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f59e77a4a0b73dec6b8e7f2dead05e143987e4f0ac688663c0bda90e299c3806 +size 11466 diff --git a/train/images/molecule_1041.png b/train/images/molecule_1041.png new file mode 100644 index 0000000000000000000000000000000000000000..acedc491cdfb3b29d20c9100f30a314c9d0afefb --- /dev/null +++ b/train/images/molecule_1041.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73d1443b243748f7a2af1c6058d7e3197d64ab48b5ab54bad86b4aab66b21fff +size 11229 diff --git a/train/images/molecule_1042.png b/train/images/molecule_1042.png new file mode 100644 index 0000000000000000000000000000000000000000..67b1102859426cc5ccd547698b963dd34fe3c75d --- /dev/null +++ b/train/images/molecule_1042.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5d2a3a2e5e6fd4e35341bd3c7beca9954c52bcc1e0960a0bc8abad1adb90216 +size 12479 diff --git a/train/images/molecule_1043.png b/train/images/molecule_1043.png new file mode 100644 index 0000000000000000000000000000000000000000..4b9777aacc90484fc303d55b017010f504593be4 --- /dev/null +++ b/train/images/molecule_1043.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0609548670c30c031ff32f956a77cfe29f6fc4d0d21bc33c953ada8db165c3c4 +size 15273 diff --git a/train/images/molecule_1044.png b/train/images/molecule_1044.png new file mode 100644 index 0000000000000000000000000000000000000000..0429a90975d89c8fe1306b905e92a4b3a697d6d3 --- /dev/null +++ b/train/images/molecule_1044.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:946aad95a753b19909d8b7e97d4331b39f17e62ffaa71514360598fa46f98981 +size 13627 diff --git a/train/images/molecule_1045.png b/train/images/molecule_1045.png new file mode 100644 index 0000000000000000000000000000000000000000..8e958e67f81c1b20d9ba7312c49729856323793b --- /dev/null +++ b/train/images/molecule_1045.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2129acdeaf01cd25562acda086ce1c54a925b4ddfa10aefb9a5d1b4f33059ab4 +size 9074 diff --git a/train/images/molecule_1046.png b/train/images/molecule_1046.png new file mode 100644 index 0000000000000000000000000000000000000000..fb7adf80547357d1cbd5ee3365943a7622795b9e --- /dev/null +++ b/train/images/molecule_1046.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fef92009400d02829d41c29797931d88992a15ab7e99b34bbe15e676aae7748e +size 8774 diff --git a/train/images/molecule_1047.png b/train/images/molecule_1047.png new file mode 100644 index 0000000000000000000000000000000000000000..18fe145758a7f9a9967519dc02e594fa21f0a0ac --- /dev/null +++ b/train/images/molecule_1047.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f28cab1fb0b4f4478c37a03ec0fbfa18a4f1a8357a902deff5a4434188924ab +size 14139 diff --git a/train/images/molecule_1048.png b/train/images/molecule_1048.png new file mode 100644 index 0000000000000000000000000000000000000000..f2d9c0e61d2debcb4a3fe47ea60b2bfcc28fc223 --- /dev/null +++ b/train/images/molecule_1048.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99151a18eb880d9f07420c760a970d7f2add5e6011345de5c8e5a8be49d04354 +size 9512 diff --git a/train/images/molecule_1049.png b/train/images/molecule_1049.png new file mode 100644 index 0000000000000000000000000000000000000000..ba20ad7961bb7a7d241335608b96335e7ce77b6a --- /dev/null +++ b/train/images/molecule_1049.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f2d3a4c11449b25b500ce65bcadc7d97b26d39ab961c7ca84da1efdc1f68ef17 +size 11602 diff --git a/train/images/molecule_105.png b/train/images/molecule_105.png new file mode 100644 index 0000000000000000000000000000000000000000..04963ca4a1358d7385039954153927b0b2d034ff --- /dev/null +++ b/train/images/molecule_105.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac04c46916ba079317aacc347be97fa1fb33a29e31c30a65961dad2a844d46bd +size 11762 diff --git a/train/images/molecule_1050.png b/train/images/molecule_1050.png new file mode 100644 index 0000000000000000000000000000000000000000..10dc6d68bdac27ba4fb96186756ae136e0a94c3c --- /dev/null +++ b/train/images/molecule_1050.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dfaa2fe5c2d01aeb56ad0d25d080e051c11bddca85989da26982d7b79fffa376 +size 11403 diff --git a/train/images/molecule_1051.png b/train/images/molecule_1051.png new file mode 100644 index 0000000000000000000000000000000000000000..626812c57499c2a30c4f21a248490651d5ce8565 --- /dev/null +++ b/train/images/molecule_1051.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:acd8ff6e0515e39c30ca5c2d7a1e4dbbd67c4be1f68e4008cb3e71e9bd10ddb2 +size 10781 diff --git a/train/images/molecule_1052.png b/train/images/molecule_1052.png new file mode 100644 index 0000000000000000000000000000000000000000..20346e95b79c1184c75f66b02f3b8d96c00cbf61 --- /dev/null +++ b/train/images/molecule_1052.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a9f1f05944d24e8279fefea59a1b1867a0d2d181927580d7aa2b9d51b3e9176 +size 10755 diff --git a/train/images/molecule_1053.png b/train/images/molecule_1053.png new file mode 100644 index 0000000000000000000000000000000000000000..7a8523c2a46f8d3f0148666160bd1984cd465ccb --- /dev/null +++ b/train/images/molecule_1053.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:94185e52ce07e64db96c8eb03f744e1a7f567e0577621d46b30db2b10f89102b +size 12175 diff --git a/train/images/molecule_1054.png b/train/images/molecule_1054.png new file mode 100644 index 0000000000000000000000000000000000000000..9122d749f3baf661a0c8deea1f445c7efc6a0d9b --- /dev/null +++ b/train/images/molecule_1054.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b5e211f84eee41660c4d2a0086e72d8e2b2c14d44922501c182b729cf34ce053 +size 13647 diff --git a/train/images/molecule_1055.png b/train/images/molecule_1055.png new file mode 100644 index 0000000000000000000000000000000000000000..c5d2c385e73ef1c3f4ea737ac5980b3c4f0659e4 --- /dev/null +++ b/train/images/molecule_1055.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31c4948365281d0accc7b72f646df72c514d19bf1e87aa4509b0f488dba42266 +size 9566 diff --git a/train/images/molecule_1056.png b/train/images/molecule_1056.png new file mode 100644 index 0000000000000000000000000000000000000000..16fa405e8a33a8da5effdff831d41de1cd648f06 --- /dev/null +++ b/train/images/molecule_1056.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:974e208503e88e87aa303a6a540575628b8dc10401c5b8fe6c13667b71b475db +size 6515 diff --git a/train/images/molecule_1057.png b/train/images/molecule_1057.png new file mode 100644 index 0000000000000000000000000000000000000000..70fc6810dcd59f992f19ef754960d2d5642d3153 --- /dev/null +++ b/train/images/molecule_1057.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4a686312b2f0087c7c7b96ddc3cb45a9d86f218a1aa5005dc7fd39d420094d2d +size 12534 diff --git a/train/images/molecule_1058.png b/train/images/molecule_1058.png new file mode 100644 index 0000000000000000000000000000000000000000..0de25d4e75c681877bb1d070b3638ba69cb0d7f1 --- /dev/null +++ b/train/images/molecule_1058.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aff73e8434abf98799cbf9211683a238aae5b3d992300c74fb7dec9c001028c7 +size 11473 diff --git a/train/images/molecule_1059.png b/train/images/molecule_1059.png new file mode 100644 index 0000000000000000000000000000000000000000..8ca17c915ae198c4b2c31e87ba668d3cb73ace06 --- /dev/null +++ b/train/images/molecule_1059.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c0ea2ef54a39ebacaef003f52b364838f154d4d8b25e8575fab86ae1fa2b702 +size 6229 diff --git a/train/images/molecule_106.png b/train/images/molecule_106.png new file mode 100644 index 0000000000000000000000000000000000000000..975e521834df166b0191f50d9bba8c6a2bb1c68f --- /dev/null +++ b/train/images/molecule_106.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31b61f8059c390cb05f1a140f9629f268089719e42c06d1c8832716ca7d9d0bc +size 14661 diff --git a/train/images/molecule_1060.png b/train/images/molecule_1060.png new file mode 100644 index 0000000000000000000000000000000000000000..98e723c69be77e7f3410bbaa256f66ce2122af24 --- /dev/null +++ b/train/images/molecule_1060.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2095b6e5b740b3e99732c3539be3d2b07b37874a6aecf947c9236e11225ea71e +size 11143 diff --git a/train/images/molecule_1061.png b/train/images/molecule_1061.png new file mode 100644 index 0000000000000000000000000000000000000000..6aafafeec49e0dc107b90cb5983c24c0542e0d8b --- /dev/null +++ b/train/images/molecule_1061.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ff0500ca37d852b4e6c5d494feae2579afcf2f3ed590f38f9a3b2e0514148bf +size 12228 diff --git a/train/images/molecule_1062.png b/train/images/molecule_1062.png new file mode 100644 index 0000000000000000000000000000000000000000..e9785b5beb0abcc644f06494b0091137253fdf41 --- /dev/null +++ b/train/images/molecule_1062.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1165cad77089d1a6676a1bcb24a1d6432d34f2887728db78c4fdc73b58d88028 +size 12241 diff --git a/train/images/molecule_1063.png b/train/images/molecule_1063.png new file mode 100644 index 0000000000000000000000000000000000000000..b4de99ea14f61fc82a281aa67c2437084b3da59c --- /dev/null +++ b/train/images/molecule_1063.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:117d69278892bdd00796bf4f2dd65aed8db50a143641463402ff36d5644fb718 +size 11568 diff --git a/train/images/molecule_1064.png b/train/images/molecule_1064.png new file mode 100644 index 0000000000000000000000000000000000000000..49ef33289cd284d8d9facd7cf5f0efa9d850a1e1 --- /dev/null +++ b/train/images/molecule_1064.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fcca472805ed3a21f028bb64d0f60a528f9a681e0e7866912ad1f905f4a0d042 +size 11404 diff --git a/train/images/molecule_1065.png b/train/images/molecule_1065.png new file mode 100644 index 0000000000000000000000000000000000000000..0b3fd390da08a54fb07d63a4317305703db3826b --- /dev/null +++ b/train/images/molecule_1065.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9c2fa069d45b823cada7d54eb9535681463ea3ef6e14e7e3334144ceec93835 +size 11721 diff --git a/train/images/molecule_1066.png b/train/images/molecule_1066.png new file mode 100644 index 0000000000000000000000000000000000000000..ab78ae6f3a187007a45c2785124f3f6f8bdf6b66 --- /dev/null +++ b/train/images/molecule_1066.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4f2039da5d542a02e5ad187fbdc83b7288964c550e61af2919d8b054117ae526 +size 8575 diff --git a/train/images/molecule_1067.png b/train/images/molecule_1067.png new file mode 100644 index 0000000000000000000000000000000000000000..bc59587c1fdcef08f62437d7bcc55a00966e7353 --- /dev/null +++ b/train/images/molecule_1067.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67f7abfc458422bc37ddb6302ff98bb03143e1e0cc061792b195b4a19ad7b90e +size 14363 diff --git a/train/images/molecule_1068.png b/train/images/molecule_1068.png new file mode 100644 index 0000000000000000000000000000000000000000..3c0c9d2f5bf3a3fda91da7ec53c248607d2a88b0 --- /dev/null +++ b/train/images/molecule_1068.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3a324267e76c0a8fafde0832a781cb2f93339f2661268e0398645f0bbc1b5b2d +size 9227 diff --git a/train/images/molecule_1069.png b/train/images/molecule_1069.png new file mode 100644 index 0000000000000000000000000000000000000000..d01813102dd44460c4fcd2b27fa80b47f8686f3f --- /dev/null +++ b/train/images/molecule_1069.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25dcd8d2f5403afc2fbdeab2e702c459fbf1c3e49fae4879faa04ccd5dceec47 +size 12449 diff --git a/train/images/molecule_107.png b/train/images/molecule_107.png new file mode 100644 index 0000000000000000000000000000000000000000..e66ba98ee429eb6019916f6fadea3897e685a89f --- /dev/null +++ b/train/images/molecule_107.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f991f19eb9db44bb59494170f70035c0039bd9fe04d6f81c0d932a5e2cf73d34 +size 10301 diff --git a/train/images/molecule_1070.png b/train/images/molecule_1070.png new file mode 100644 index 0000000000000000000000000000000000000000..399fa8330c62045fd1f4d3993cfbf26355049b05 --- /dev/null +++ b/train/images/molecule_1070.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dba81ed942b11dd533c214b68bd99a66dff4f6fb8f2a181171658e2c821e9ab8 +size 13165 diff --git a/train/images/molecule_1071.png b/train/images/molecule_1071.png new file mode 100644 index 0000000000000000000000000000000000000000..1dc5311e454ac6c0347869504b01a8f16230f986 --- /dev/null +++ b/train/images/molecule_1071.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93df3daf39142367ddb9c39ec577ba035395051be7f93c9add0f75fc4bc52c23 +size 11805 diff --git a/train/images/molecule_1072.png b/train/images/molecule_1072.png new file mode 100644 index 0000000000000000000000000000000000000000..dda7ef11dd8f2366866a033888541447413dc3d7 --- /dev/null +++ b/train/images/molecule_1072.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7bd1f97582fedc2b601a6bc2ed411911710565b29361b96e8068822c2cd8c678 +size 14129 diff --git a/train/images/molecule_1073.png b/train/images/molecule_1073.png new file mode 100644 index 0000000000000000000000000000000000000000..b7135e05c748d50298802b354e1e1ac70f748a25 --- /dev/null +++ b/train/images/molecule_1073.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:00b524b76b8aa77ff73badf273bc82dbd365d48e0877df7cee69cfe10bf29db9 +size 12924 diff --git a/train/images/molecule_1074.png b/train/images/molecule_1074.png new file mode 100644 index 0000000000000000000000000000000000000000..8216add08bd5b89367e0cb1557d99bacdf96f573 --- /dev/null +++ b/train/images/molecule_1074.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec8fe50089ff2d2a0dc3c298a11d8f3885295074ae68d0b5941cfab99e156f53 +size 10212 diff --git a/train/images/molecule_1075.png b/train/images/molecule_1075.png new file mode 100644 index 0000000000000000000000000000000000000000..f8e433883d0cc4db352e388fe8828aadaa69c1e1 --- /dev/null +++ b/train/images/molecule_1075.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6f6a438d4b1f738f01e3df10789b051438e852a821dca9525d65eea0ebbfe65f +size 10765 diff --git a/train/images/molecule_1076.png b/train/images/molecule_1076.png new file mode 100644 index 0000000000000000000000000000000000000000..53402b9697462e18a25a158db071c650cdb3ea30 --- /dev/null +++ b/train/images/molecule_1076.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c6f67bbaf2271ad951ba2a68c2dae25090a1e7f14294299336f7ac2f1b25bb9 +size 10984 diff --git a/train/images/molecule_1077.png b/train/images/molecule_1077.png new file mode 100644 index 0000000000000000000000000000000000000000..cbfdc787c20a3cd27da89d459ecc146c4b0b3ed5 --- /dev/null +++ b/train/images/molecule_1077.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea2dddb9e8559f00c5350cb746561534873b3e166640b6f64f3e1fdd07f70a78 +size 11321 diff --git a/train/images/molecule_1078.png b/train/images/molecule_1078.png new file mode 100644 index 0000000000000000000000000000000000000000..9fd7ce261ce9dadd89c61350909a5f455b5dd996 --- /dev/null +++ b/train/images/molecule_1078.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d62dc0a649aae0b7de4516c8a5e362007c46410c73d9567938a2a689e5c43fca +size 11608 diff --git a/train/images/molecule_1079.png b/train/images/molecule_1079.png new file mode 100644 index 0000000000000000000000000000000000000000..ab78ae6f3a187007a45c2785124f3f6f8bdf6b66 --- /dev/null +++ b/train/images/molecule_1079.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4f2039da5d542a02e5ad187fbdc83b7288964c550e61af2919d8b054117ae526 +size 8575 diff --git a/train/images/molecule_108.png b/train/images/molecule_108.png new file mode 100644 index 0000000000000000000000000000000000000000..ab8ee2dc35361f9c66c17a79281efaa796452edf --- /dev/null +++ b/train/images/molecule_108.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:436fa2fe4970f36bb732c4186b791c42ce97d598d219bf749864e00dc982ad02 +size 10471 diff --git a/train/images/molecule_1080.png b/train/images/molecule_1080.png new file mode 100644 index 0000000000000000000000000000000000000000..e69954c37ae372da5ee4931a86c1369862d7a32d --- /dev/null +++ b/train/images/molecule_1080.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d11b4015232ed5412f271dccd7ce2a60f445aac631831e38ef448b47c76c5fc3 +size 10126 diff --git a/train/images/molecule_1081.png b/train/images/molecule_1081.png new file mode 100644 index 0000000000000000000000000000000000000000..72d208467c93bbc9bcad2682a372a7b0c241de4f --- /dev/null +++ b/train/images/molecule_1081.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:67802c4f18cb532733f1319206eddda4ee520a81f26da424b9da1b8c6a6a6441 +size 11488 diff --git a/train/images/molecule_1082.png b/train/images/molecule_1082.png new file mode 100644 index 0000000000000000000000000000000000000000..74fc8181c13b08455e9a6e902ad24f16556b32c9 --- /dev/null +++ b/train/images/molecule_1082.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a9d5f905f7b1a2da4794dbeec192eaabd91c058ebd5c515934b170234573e0d +size 13276 diff --git a/train/images/molecule_1083.png b/train/images/molecule_1083.png new file mode 100644 index 0000000000000000000000000000000000000000..fb0fa9b7cdb3a4c5cda0dfcf09ccfb26f1629cbf --- /dev/null +++ b/train/images/molecule_1083.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d66ac90b1301be135937a3a9aa8e012b9679deab2882ee13c6c5740af355f54 +size 10403 diff --git a/train/images/molecule_1084.png b/train/images/molecule_1084.png new file mode 100644 index 0000000000000000000000000000000000000000..09f4417c60514a91a7352a602efd521ccf922928 --- /dev/null +++ b/train/images/molecule_1084.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5613fdf736b06018b23621d2dc1ba5cd028cd62dce9ea48069f187a72809d05e +size 13243 diff --git a/train/images/molecule_1085.png b/train/images/molecule_1085.png new file mode 100644 index 0000000000000000000000000000000000000000..05da8ee19469ebcb2c668308c63ab21adecc39ff --- /dev/null +++ b/train/images/molecule_1085.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a805295a4ccbb3c54f41c404e76176a0c607776af59d55eb234e0567b229b556 +size 12613 diff --git a/train/images/molecule_1086.png b/train/images/molecule_1086.png new file mode 100644 index 0000000000000000000000000000000000000000..c04b8408fe177fe975058671431cd5f16190b4d3 --- /dev/null +++ b/train/images/molecule_1086.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9de6a0823614a33b39246e1c7bf0ca8d3b8008d4533afe4576692f78846d1b3 +size 11261 diff --git a/train/images/molecule_1087.png b/train/images/molecule_1087.png new file mode 100644 index 0000000000000000000000000000000000000000..a20f350df18955699658e27ec5ac386d4a6706b1 --- /dev/null +++ b/train/images/molecule_1087.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2129cda9af7ba8736df2a1a66e6aca88bcb2135c8e42269f4f67a9e712748236 +size 9438 diff --git a/train/images/molecule_1088.png b/train/images/molecule_1088.png new file mode 100644 index 0000000000000000000000000000000000000000..f684c3780717b77fbe6f2dc9a128177e160d9e59 --- /dev/null +++ b/train/images/molecule_1088.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d53bd18e57db64be9ee629a24c71dbf818a6bbebee982f6ebca7ca6d186e280 +size 11815 diff --git a/train/images/molecule_1089.png b/train/images/molecule_1089.png new file mode 100644 index 0000000000000000000000000000000000000000..22293ce6433fe2b3885f00f90058f08075b9aa38 --- /dev/null +++ b/train/images/molecule_1089.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1ebe449da98e09d2642c15de8dbdcf7886bef680d80f07bf1c271ab8f1a8c596 +size 10891 diff --git a/train/images/molecule_109.png b/train/images/molecule_109.png new file mode 100644 index 0000000000000000000000000000000000000000..8c27bcde6f10e5af2d179e255befab46a8270314 --- /dev/null +++ b/train/images/molecule_109.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:87bbac9ffc0b9308c6ff4da53b85064bda172bee709648016b98626b14ec0520 +size 8236 diff --git a/train/images/molecule_1090.png b/train/images/molecule_1090.png new file mode 100644 index 0000000000000000000000000000000000000000..9521b57c7b7f5c8cc242b1c797b621b332cc953a --- /dev/null +++ b/train/images/molecule_1090.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0c28f6096548c1919eb70599c6930aeab70da5b45063f54e9fba3584f4562309 +size 6879 diff --git a/train/images/molecule_1091.png b/train/images/molecule_1091.png new file mode 100644 index 0000000000000000000000000000000000000000..9fa3af985cffb5e9e2df10d803f922e52668e0fa --- /dev/null +++ b/train/images/molecule_1091.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:30e8e9a642162fc0081b7ba214f4039bea3d9ca1479ede1e62fb6e88c71bb9c2 +size 13336 diff --git a/train/images/molecule_1092.png b/train/images/molecule_1092.png new file mode 100644 index 0000000000000000000000000000000000000000..cdb8d7ce1d0da8b2224f1f630f84d448a4a3d682 --- /dev/null +++ b/train/images/molecule_1092.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c6fe0f4002d9dba90f0d1130f6157af99e386d72317a8728657e45700aa25657 +size 9647 diff --git a/train/images/molecule_1093.png b/train/images/molecule_1093.png new file mode 100644 index 0000000000000000000000000000000000000000..a4cc63e7b4c2072956d121b0fd52607002d2a3ef --- /dev/null +++ b/train/images/molecule_1093.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c484c86b308c33430fd1a4fc970ed1b10c84b60441c000c3072c4c43e4f50b4 +size 9524 diff --git a/train/images/molecule_1094.png b/train/images/molecule_1094.png new file mode 100644 index 0000000000000000000000000000000000000000..82d2ae864bbc9ead07feac08b8734bfb8e0dbc4d --- /dev/null +++ b/train/images/molecule_1094.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9c91dabb2e12904b59660aa4812fc5fd5a16f0333572d4655ff8d1016f5bdc8 +size 14346 diff --git a/train/images/molecule_1095.png b/train/images/molecule_1095.png new file mode 100644 index 0000000000000000000000000000000000000000..f9caf308f3b67bcc8b21c8abf8d1a0e1224790bc --- /dev/null +++ b/train/images/molecule_1095.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a43cf3f2599010d2bb38e93543e5ee8cdcef32c6011b698cd6fe22dcd7e7f5d9 +size 11774 diff --git a/train/images/molecule_1096.png b/train/images/molecule_1096.png new file mode 100644 index 0000000000000000000000000000000000000000..e39b86bb869f65646108598c174ba81eab520a3f --- /dev/null +++ b/train/images/molecule_1096.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ff7f9a5ab1d5d98ada90322a272b009e5a0c7af86a66076dec2709eddb03470f +size 10498 diff --git a/train/images/molecule_1097.png b/train/images/molecule_1097.png new file mode 100644 index 0000000000000000000000000000000000000000..c8232d0972f51542dcba7511402e3b8dbe535f6f --- /dev/null +++ b/train/images/molecule_1097.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0e4a96404b25b03d10692ce403c1887a0201d9e97fe4fcec35dfc28f4671dff +size 10099 diff --git a/train/images/molecule_1098.png b/train/images/molecule_1098.png new file mode 100644 index 0000000000000000000000000000000000000000..a244fcd500df504882174d68ca99f577a64bb3da --- /dev/null +++ b/train/images/molecule_1098.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c60986d3fdfdbeb040f910b52eca38cb1184cf3200c4c040a1cd60788d43b426 +size 11559 diff --git a/train/images/molecule_1099.png b/train/images/molecule_1099.png new file mode 100644 index 0000000000000000000000000000000000000000..d5856089848c5fa6074ea0aaef965ce07fa3ec89 --- /dev/null +++ b/train/images/molecule_1099.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af724a3031049d8db4507a10c4a80dacfc041b6f9f07597b19606b53815b0ec7 +size 15798 diff --git a/train/images/molecule_11.png b/train/images/molecule_11.png new file mode 100644 index 0000000000000000000000000000000000000000..bd58b4ca9957892b5fa862cb629b8e8aae14ad8c --- /dev/null +++ b/train/images/molecule_11.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1efc99ff908d6c5cd7989407125c8529401226109483f4c0e761ab7aac3ba352 +size 9015 diff --git a/train/images/molecule_110.png b/train/images/molecule_110.png new file mode 100644 index 0000000000000000000000000000000000000000..e8bee8a5eb523f68f2536939a4713f8816126002 --- /dev/null +++ b/train/images/molecule_110.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ec7e78657e4ceaa35aa446b526e0f253674266e8bd9ec14a7d6eb142cf16811 +size 13476 diff --git a/train/images/molecule_1100.png b/train/images/molecule_1100.png new file mode 100644 index 0000000000000000000000000000000000000000..60f28839f1e1640e503f65a300a1ed3b235de30a --- /dev/null +++ b/train/images/molecule_1100.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f58aed8d44739c6cc67cc8693b07af310b97eef69f3978ab573cb396448f8a56 +size 9952 diff --git a/train/images/molecule_1101.png b/train/images/molecule_1101.png new file mode 100644 index 0000000000000000000000000000000000000000..d8b8eec73984c752094c6c5f70c63416d9a4ef28 --- /dev/null +++ b/train/images/molecule_1101.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e45c2529ab65a9ed6904cb4ddcdd4df2b951ee9fc69204d95e628f058a4187be +size 9554 diff --git a/train/images/molecule_1102.png b/train/images/molecule_1102.png new file mode 100644 index 0000000000000000000000000000000000000000..0d37566924d51291dc0b376ce3aa856f4e05e595 --- /dev/null +++ b/train/images/molecule_1102.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c9fd802e2e8f045a5dec14dfd8e28cd809c613ffae709c9c5555533bf97bb1b2 +size 13028 diff --git a/train/images/molecule_1103.png b/train/images/molecule_1103.png new file mode 100644 index 0000000000000000000000000000000000000000..2304fa7ece229bc24384b3191c613c6070efb2de --- /dev/null +++ b/train/images/molecule_1103.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f128a3700bc9169860402741e7d4ee305e820e2b5ac9fb67fce129a117b0b91 +size 9766 diff --git a/train/images/molecule_1104.png b/train/images/molecule_1104.png new file mode 100644 index 0000000000000000000000000000000000000000..e8d52e7f3ec36fca6fdbabae6885fea1de9f938a --- /dev/null +++ b/train/images/molecule_1104.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d32543002677fcce245ef1f96e1fc12c45dae611e36ae5a8d2e79dc9f727a03 +size 12441 diff --git a/train/images/molecule_1105.png b/train/images/molecule_1105.png new file mode 100644 index 0000000000000000000000000000000000000000..7fbae4622373642a7520b8dd2974b07089ab0892 --- /dev/null +++ b/train/images/molecule_1105.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:570051e9da66485cefe9df172219efa1e20506da5941c0049f9e1c3f6e763856 +size 10404 diff --git a/train/images/molecule_1106.png b/train/images/molecule_1106.png new file mode 100644 index 0000000000000000000000000000000000000000..854bbd7375ea6b526c2d9954bc1d1c52a38bf575 --- /dev/null +++ b/train/images/molecule_1106.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa2787a8c03f9c63c02e933ec35e9ebf85d3919993210c384bde63cfbad62bc6 +size 7840 diff --git a/train/images/molecule_1107.png b/train/images/molecule_1107.png new file mode 100644 index 0000000000000000000000000000000000000000..d85acd20813beddabbdf5bb9a546d3aff092147e --- /dev/null +++ b/train/images/molecule_1107.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d2dd909b25f37d389129754dcb2e1aadb3819e4da7818f14e9fbeba98f444527 +size 9176 diff --git a/train/images/molecule_1108.png b/train/images/molecule_1108.png new file mode 100644 index 0000000000000000000000000000000000000000..079775d51aa4957b06670f88dcd6f5e8cda60caa --- /dev/null +++ b/train/images/molecule_1108.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d66b64c81b09aaeb2257c6b697393858f546cbd48e76678f193a798fb820b761 +size 11374 diff --git a/train/images/molecule_1109.png b/train/images/molecule_1109.png new file mode 100644 index 0000000000000000000000000000000000000000..191a2eb016b731ae2132462e0e1e82380751909b --- /dev/null +++ b/train/images/molecule_1109.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9b2867337cd8f0b6282e13613d08413811cf65393261878091f62f84a6a8578e +size 15135 diff --git a/train/images/molecule_111.png b/train/images/molecule_111.png new file mode 100644 index 0000000000000000000000000000000000000000..deaba10f09362f23b034c15032bcdfcbe8ce5d44 --- /dev/null +++ b/train/images/molecule_111.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa7bacbfc05dbbff73ef1667105e47870f31fd0e87496e091abd078460c40c70 +size 13996 diff --git a/train/images/molecule_1110.png b/train/images/molecule_1110.png new file mode 100644 index 0000000000000000000000000000000000000000..1841297e958fa5bd6d8878df095cbe1d3d9d4552 --- /dev/null +++ b/train/images/molecule_1110.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b0431bf9d5f0e5dd4140b12ee21429f9be50fcfc922c468106e849451797bbc0 +size 11532 diff --git a/train/images/molecule_1111.png b/train/images/molecule_1111.png new file mode 100644 index 0000000000000000000000000000000000000000..576d69dc1597789a036814b0b87bc3bc4214381b --- /dev/null +++ b/train/images/molecule_1111.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc86a9c5056fae8ed58fc1415bb9233bd485936d02ac3d0654db51c25158c215 +size 10791 diff --git a/train/images/molecule_1112.png b/train/images/molecule_1112.png new file mode 100644 index 0000000000000000000000000000000000000000..ea4763a6e17bdeb497c1040467a34443b981b3b2 --- /dev/null +++ b/train/images/molecule_1112.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7c46ee6a85daf4a1f9b0f38db2ef44a92d9631a998e2855e8abe4e63bad1b288 +size 11468 diff --git a/train/images/molecule_1113.png b/train/images/molecule_1113.png new file mode 100644 index 0000000000000000000000000000000000000000..7c336e37a023c4457e2ff6a0c5fadfd89e4fc305 --- /dev/null +++ b/train/images/molecule_1113.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc0289477f4ad848cf067538dbcee5636c36d86225651919d8234cefa43e062f +size 15310 diff --git a/train/images/molecule_1114.png b/train/images/molecule_1114.png new file mode 100644 index 0000000000000000000000000000000000000000..2c31c45f13465e6848873923b2821fc766a74101 --- /dev/null +++ b/train/images/molecule_1114.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:930f49c89b71eb938ddfade0a540855e08c3b038f12926bd96400602bd8573d5 +size 13342 diff --git a/train/images/molecule_1115.png b/train/images/molecule_1115.png new file mode 100644 index 0000000000000000000000000000000000000000..8fd10bb5384bf9cdc1daeba022080d26db6eb76a --- /dev/null +++ b/train/images/molecule_1115.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa0feaa2526b1dda46e2076d3446e115fff0106d64cd1bfbbb673a21aa506ce9 +size 8285 diff --git a/train/images/molecule_1116.png b/train/images/molecule_1116.png new file mode 100644 index 0000000000000000000000000000000000000000..7e93afc6e9f429171cfc8224db3ca8e66aa6adff --- /dev/null +++ b/train/images/molecule_1116.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4880114b76b678b5c769ed52b40d262cb88a3cd156a3ebb542197a0e804b62e +size 10943 diff --git a/train/images/molecule_1117.png b/train/images/molecule_1117.png new file mode 100644 index 0000000000000000000000000000000000000000..a49cdc524b01ddcfb2cb8c73c43ad4ba272d6bf5 --- /dev/null +++ b/train/images/molecule_1117.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:57b1d8c5e95c52fa8d2e98f47877150fc7e407ecc741427dd0d032fba507ccd6 +size 11842 diff --git a/train/images/molecule_1118.png b/train/images/molecule_1118.png new file mode 100644 index 0000000000000000000000000000000000000000..5ea9c1a13acc0fe863602789fa569cc32a19eca9 --- /dev/null +++ b/train/images/molecule_1118.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99e868614b7379e794cfb6e9e9b9a680edf1a11fecfa831c12630f87e68c1da7 +size 12105 diff --git a/train/images/molecule_1119.png b/train/images/molecule_1119.png new file mode 100644 index 0000000000000000000000000000000000000000..b1495bc7d91c67a614cb6d308870f2c387017e2e --- /dev/null +++ b/train/images/molecule_1119.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:daa0140af9d37045e38c851f9a3649512f42235ed5c0f51740b0c31afe64fe8a +size 11620 diff --git a/train/images/molecule_112.png b/train/images/molecule_112.png new file mode 100644 index 0000000000000000000000000000000000000000..e53d7c994f91239ceb3b0bc6c62ca54778e33bc8 --- /dev/null +++ b/train/images/molecule_112.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c3586846222a01bc781adbe1371efdf2a619c7823d86fa0f67345ec92f4be32 +size 12434 diff --git a/train/images/molecule_1120.png b/train/images/molecule_1120.png new file mode 100644 index 0000000000000000000000000000000000000000..f23169f4f8c255ed28df18498f5257d03bce8c18 --- /dev/null +++ b/train/images/molecule_1120.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:893e89f0d1f3e1f4bb87732772a96ad35c6a04a2e957dce24a5ee7fd100e75ee +size 13908 diff --git a/train/images/molecule_1121.png b/train/images/molecule_1121.png new file mode 100644 index 0000000000000000000000000000000000000000..cc29f7dba4e3ac0460f05b066257c7f923d1f9b1 --- /dev/null +++ b/train/images/molecule_1121.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0cd279d8dd648cbe6e7db2bf741654595acf3aaa09c6548fbea4a07dbc9de568 +size 14175 diff --git a/train/images/molecule_1122.png b/train/images/molecule_1122.png new file mode 100644 index 0000000000000000000000000000000000000000..f34a50355148c9414d4474b8f4656b6e633866e4 --- /dev/null +++ b/train/images/molecule_1122.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8d8283dc9be0eee6acfbde7cee1ff68fa79916bacdb02beafedb35a80acfadb1 +size 13143 diff --git a/train/images/molecule_1123.png b/train/images/molecule_1123.png new file mode 100644 index 0000000000000000000000000000000000000000..42577f42cf90e7cec633aacfd252a5f4e18fdc10 --- /dev/null +++ b/train/images/molecule_1123.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:590acd2e0f09a33425796f27e4d8db47b071e8c9b6b30909a8472f211ce0682d +size 8557 diff --git a/train/images/molecule_1124.png b/train/images/molecule_1124.png new file mode 100644 index 0000000000000000000000000000000000000000..b3cacbf3e0a86a1f2c38c06fbbc335dd2aca82c1 --- /dev/null +++ b/train/images/molecule_1124.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6fd744623e5f2791928ae237ca6a4a9b41e7538d3b1df8993fba6a3874848bdb +size 10330 diff --git a/train/images/molecule_1125.png b/train/images/molecule_1125.png new file mode 100644 index 0000000000000000000000000000000000000000..ff02ac0d5fc297d87f9e73b11f009297e13f5684 --- /dev/null +++ b/train/images/molecule_1125.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5e4c409944d9c1ed925f7fadf6d21a6281340b48da7f14b7b67ae080ea6d111 +size 12595 diff --git a/train/images/molecule_1126.png b/train/images/molecule_1126.png new file mode 100644 index 0000000000000000000000000000000000000000..03fd589428d00af671fa1723712533fbc9b97538 --- /dev/null +++ b/train/images/molecule_1126.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5982039772bde0cbbd69ba9e18ea2ba0e8738eb3101b1a59982eea636618b6f1 +size 9388 diff --git a/train/images/molecule_1127.png b/train/images/molecule_1127.png new file mode 100644 index 0000000000000000000000000000000000000000..de3baa1e271bdc7611405306b563ec3e8d814feb --- /dev/null +++ b/train/images/molecule_1127.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b499b8f7eea40fa59c8a311e1bdcff350a95210490f443088436cb19e9ebde50 +size 12760 diff --git a/train/images/molecule_1128.png b/train/images/molecule_1128.png new file mode 100644 index 0000000000000000000000000000000000000000..c2c0158d34aa58bb93e27828aa371c365c28fd6b --- /dev/null +++ b/train/images/molecule_1128.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88b8222654e8ac042e5d6e5ee52ed31679fade495cecc4f06ba50007c2d04f54 +size 12062 diff --git a/train/images/molecule_1129.png b/train/images/molecule_1129.png new file mode 100644 index 0000000000000000000000000000000000000000..3e1d7998034e4163a0613f4b073eb09e76a99f04 --- /dev/null +++ b/train/images/molecule_1129.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:588f1487313219b2151403e95760fb9ae006d791449d847d8d532d03b97b8e4d +size 12531 diff --git a/train/images/molecule_113.png b/train/images/molecule_113.png new file mode 100644 index 0000000000000000000000000000000000000000..2a0eb1141068be69792f90436d2f140b1021bbc7 --- /dev/null +++ b/train/images/molecule_113.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e91b095226d1f586b2e95c50089d4305aa7fbfcdb2cf80233fd56824e4114f5 +size 10754 diff --git a/train/images/molecule_1130.png b/train/images/molecule_1130.png new file mode 100644 index 0000000000000000000000000000000000000000..22bb96077ad975f5a4172ca6b8cad426f4c34b87 --- /dev/null +++ b/train/images/molecule_1130.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c5ca86bbb149c9d2f99dbf5d61f5908b7c5cc74a7f2fd85ef437a0c2fcee3ded +size 11256 diff --git a/train/images/molecule_1131.png b/train/images/molecule_1131.png new file mode 100644 index 0000000000000000000000000000000000000000..2eeed3d8b0a64006be5b93b74d90f40875f5e07b --- /dev/null +++ b/train/images/molecule_1131.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d0c1bd859fccf3013d9bb920fb9afaa2a42cda51a88e7374b1968e4dfaf1523 +size 13052 diff --git a/train/images/molecule_1132.png b/train/images/molecule_1132.png new file mode 100644 index 0000000000000000000000000000000000000000..1b50c690f5b97602162d8307bfb9891c91033ee8 --- /dev/null +++ b/train/images/molecule_1132.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:454b1f0f0e0457beb5343f7c46e05484266ab6db2020114f970d490bc9ef2719 +size 11274 diff --git a/train/images/molecule_1133.png b/train/images/molecule_1133.png new file mode 100644 index 0000000000000000000000000000000000000000..25c31870c4ab1ede965116dd64095a882c9bff7f --- /dev/null +++ b/train/images/molecule_1133.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f778889a85e6ee21d800fdd1cc9fdf96b1c328bceae3e2cad56ce4262c34c138 +size 12960 diff --git a/train/images/molecule_1134.png b/train/images/molecule_1134.png new file mode 100644 index 0000000000000000000000000000000000000000..4d615d44e5a1f9b73c2d9dc4ad8625cb83ec5674 --- /dev/null +++ b/train/images/molecule_1134.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7ebfd09aae8822f898a6e71a62fcd1e3c0b491d03e074a9cc76c4caa79d40ada +size 11653 diff --git a/train/images/molecule_1135.png b/train/images/molecule_1135.png new file mode 100644 index 0000000000000000000000000000000000000000..e7b969018596c96edb224db104173bf2c93197f2 --- /dev/null +++ b/train/images/molecule_1135.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e6b0c97c6b5ff7109f7dadd96f20b69ed41eef4ef929a80d402f6a5f1df865d +size 12349 diff --git a/train/images/molecule_1136.png b/train/images/molecule_1136.png new file mode 100644 index 0000000000000000000000000000000000000000..438cc4860acbb343916d5ef734c6fefed797b209 --- /dev/null +++ b/train/images/molecule_1136.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b690f4ae7e1a963460a04549a1448ddefc1e48bfc6c14e5d7ce194c73cbb8d46 +size 8611 diff --git a/train/images/molecule_1137.png b/train/images/molecule_1137.png new file mode 100644 index 0000000000000000000000000000000000000000..edc9e36198a6e787cdde23bc202e7be5aa672bf8 --- /dev/null +++ b/train/images/molecule_1137.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6c0456f51e4722ec177b5d0e06b470412149bcf82c3682f7257cdf3902a9d9a2 +size 8645 diff --git a/train/images/molecule_1138.png b/train/images/molecule_1138.png new file mode 100644 index 0000000000000000000000000000000000000000..3236c910a93085fd1f79f5b7ec75fdb7acff2657 --- /dev/null +++ b/train/images/molecule_1138.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db229ed6ceb6d0d17fc0cbe39a1bb68fb71ec163df3f7f3a5b5867570b064897 +size 12907 diff --git a/train/images/molecule_1139.png b/train/images/molecule_1139.png new file mode 100644 index 0000000000000000000000000000000000000000..87a5c6dea7af7666c4e65f2c8f3d692108b8157e --- /dev/null +++ b/train/images/molecule_1139.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4ee59b7e72cfd9d5a4e98ba25c12e6b42b3d2cc7aac63004cd995aebe5b004e +size 9730 diff --git a/train/images/molecule_114.png b/train/images/molecule_114.png new file mode 100644 index 0000000000000000000000000000000000000000..54e34a3d07b987cbb338e0b1f3f2c651659d6b3e --- /dev/null +++ b/train/images/molecule_114.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6f395c48332d083d879d072679b31da331f51cb1e655a1bfea0583733e18db7b +size 10546 diff --git a/train/images/molecule_1140.png b/train/images/molecule_1140.png new file mode 100644 index 0000000000000000000000000000000000000000..8032aa19787274919652fd9513efa86a622547e7 --- /dev/null +++ b/train/images/molecule_1140.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dee364f9839c46197291e94e13d8eb23fb74180d4cfd367cd7703cc9b50e1f1c +size 14737 diff --git a/train/images/molecule_1141.png b/train/images/molecule_1141.png new file mode 100644 index 0000000000000000000000000000000000000000..e831bb50e5a29b62cc0cff05749afd104c2a097b --- /dev/null +++ b/train/images/molecule_1141.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:47e2bbbdd301e27dcc5add5ec6547d2a28dd8c18f8d362c72e76e33d2970dfd6 +size 10131 diff --git a/train/images/molecule_1142.png b/train/images/molecule_1142.png new file mode 100644 index 0000000000000000000000000000000000000000..ae2b83a684dbec4fca344ce0c2db35df9d4d6a7d --- /dev/null +++ b/train/images/molecule_1142.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2e9e3b21c434217e57b28145de58ec2712c810d534e9b5aeb4963bedea94e9ad +size 9052 diff --git a/train/images/molecule_1143.png b/train/images/molecule_1143.png new file mode 100644 index 0000000000000000000000000000000000000000..2b1fdd962855f49414b20fbd6f95f15b3fdf41df --- /dev/null +++ b/train/images/molecule_1143.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ce0985f08df663082d36714a49fa62dcbb47df852458ad0b8494b01eae2461ac +size 8495 diff --git a/train/images/molecule_1144.png b/train/images/molecule_1144.png new file mode 100644 index 0000000000000000000000000000000000000000..59328844aec38487a6591647fd701f4213e7fe4b --- /dev/null +++ b/train/images/molecule_1144.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b7c5e97654e72087115623aabd29eb670a4eb8750045076fac5df840cdd7620d +size 11623 diff --git a/train/images/molecule_1145.png b/train/images/molecule_1145.png new file mode 100644 index 0000000000000000000000000000000000000000..ae48b72f8cfe22d06c0428bdd0355de361e8fe78 --- /dev/null +++ b/train/images/molecule_1145.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ddc65f918a6796c44efd29d9886c16a837330eafc77f171ad8da4da3ff31f84 +size 10970 diff --git a/train/images/molecule_1146.png b/train/images/molecule_1146.png new file mode 100644 index 0000000000000000000000000000000000000000..ec9212c2097035a9f226c1deb02a9fdb432b1699 --- /dev/null +++ b/train/images/molecule_1146.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:508a5d73ac5a0dc584b8b5a0967c081ea97601b82c641d4028feab23e93776e8 +size 13415 diff --git a/train/images/molecule_1147.png b/train/images/molecule_1147.png new file mode 100644 index 0000000000000000000000000000000000000000..67dc61378fefb5ac98639a3ebeea4595d60cc125 --- /dev/null +++ b/train/images/molecule_1147.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f7a26df19b776dfefb09cb1ad4fbd3dbe12180efa902bc7fad187d5e49c84aa4 +size 11444 diff --git a/train/images/molecule_1148.png b/train/images/molecule_1148.png new file mode 100644 index 0000000000000000000000000000000000000000..40bda7188e347dbdf009be06d4ff647511600e3e --- /dev/null +++ b/train/images/molecule_1148.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e4ef409c8aa78e7f5912a1342a2dd9e52ec2b415d6cd9693efde98e25282be2b +size 12925 diff --git a/train/images/molecule_1149.png b/train/images/molecule_1149.png new file mode 100644 index 0000000000000000000000000000000000000000..85363a087083fa5ab17a08256c8e4900321c4dc7 --- /dev/null +++ b/train/images/molecule_1149.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:941a04138ef4ac7fb5f6e925d1894c8b0577b99243f3d4f534576898e5def1ad +size 9920 diff --git a/train/images/molecule_115.png b/train/images/molecule_115.png new file mode 100644 index 0000000000000000000000000000000000000000..deb53ed669c87afdaa43b7579dc43d4bd0fd8b64 --- /dev/null +++ b/train/images/molecule_115.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b127f60f5b458a26d34c013f194e394921ed17976502555442aa7b3772f67a5b +size 9117 diff --git a/train/images/molecule_1150.png b/train/images/molecule_1150.png new file mode 100644 index 0000000000000000000000000000000000000000..35532f3ac57976261bb6ab44cfe5eef8d073caa8 --- /dev/null +++ b/train/images/molecule_1150.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48791b4d8ac5348fc0140aee185cafe733f5fa13004bc2a3cd52cc263b27e25e +size 12987 diff --git a/train/images/molecule_1151.png b/train/images/molecule_1151.png new file mode 100644 index 0000000000000000000000000000000000000000..f58e8a94398baed34e4f3bd782743110ee71e78a --- /dev/null +++ b/train/images/molecule_1151.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:925f4b743e6ae3d95135c5deed7d87a9d6f94e1933473d5ee3fe44463fc0a368 +size 8284 diff --git a/train/images/molecule_1152.png b/train/images/molecule_1152.png new file mode 100644 index 0000000000000000000000000000000000000000..22c6adfa5929f3da788d16a253270606ca680408 --- /dev/null +++ b/train/images/molecule_1152.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d97f5c5f1bdc0764982b671be1af6ac8babbdf48bfe0ae182c88edaeeb78c664 +size 11323 diff --git a/train/images/molecule_1153.png b/train/images/molecule_1153.png new file mode 100644 index 0000000000000000000000000000000000000000..8e56be39d693cb10b2f612e80f0e953fe98a98e9 --- /dev/null +++ b/train/images/molecule_1153.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7d6d7c0982bd0fc36b7bda58cf487cd26f1a57d3948060385a33e2a84320c58 +size 9454 diff --git a/train/images/molecule_1154.png b/train/images/molecule_1154.png new file mode 100644 index 0000000000000000000000000000000000000000..07dfe1241ffe5a057a58457d73cefd3978eb04c7 --- /dev/null +++ b/train/images/molecule_1154.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f4186dfe36da5a46731329efbd14670ad16e74f14f1e9268fafae67f911121d0 +size 11520 diff --git a/train/images/molecule_1155.png b/train/images/molecule_1155.png new file mode 100644 index 0000000000000000000000000000000000000000..c2c0158d34aa58bb93e27828aa371c365c28fd6b --- /dev/null +++ b/train/images/molecule_1155.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88b8222654e8ac042e5d6e5ee52ed31679fade495cecc4f06ba50007c2d04f54 +size 12062 diff --git a/train/images/molecule_1156.png b/train/images/molecule_1156.png new file mode 100644 index 0000000000000000000000000000000000000000..55ae84ce32342d9c81cf889ee6cdb3fe3965eeac --- /dev/null +++ b/train/images/molecule_1156.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:055d1272b7b92057b536da80e0f9fe16c803727e17f2da3573659d50da067fac +size 10119 diff --git a/train/images/molecule_1157.png b/train/images/molecule_1157.png new file mode 100644 index 0000000000000000000000000000000000000000..f9e58ce2a982aeea615450f94a8fe0ee6188cf94 --- /dev/null +++ b/train/images/molecule_1157.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3f170f954acc6c2ce1683782023ff9141425ee32ace52c7726ecf3d339ed2434 +size 11178 diff --git a/train/images/molecule_1158.png b/train/images/molecule_1158.png new file mode 100644 index 0000000000000000000000000000000000000000..0dcd7b7758061d0287ac1faf761d0dd663ba39b2 --- /dev/null +++ b/train/images/molecule_1158.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ebf9d12b19f50476c2562dc1d247e2bd4fa75bf4291a8fbc1664c59a18484f7 +size 9970 diff --git a/train/images/molecule_1159.png b/train/images/molecule_1159.png new file mode 100644 index 0000000000000000000000000000000000000000..701bdfff7e00f27701ccc71d190fa166c75ee703 --- /dev/null +++ b/train/images/molecule_1159.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11bcc395509e3cb54f37f32fc0a22c5c6b2e2750e71b462bff2cd391d794df27 +size 12028 diff --git a/train/images/molecule_116.png b/train/images/molecule_116.png new file mode 100644 index 0000000000000000000000000000000000000000..37b25d6c2da5aea962d085c73b3c2ec9d6db8904 --- /dev/null +++ b/train/images/molecule_116.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5972fd3ef16783b4329a4f726474e6542394a1676fe622731b50f25d9b1da0f +size 8365 diff --git a/train/images/molecule_1160.png b/train/images/molecule_1160.png new file mode 100644 index 0000000000000000000000000000000000000000..bb866d45c447ccc36d728fa90e8171bd3c5120d2 --- /dev/null +++ b/train/images/molecule_1160.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c32c2c0034698d8069bb2a3a386fb05e3a9832f5232808537f9149959d628ee9 +size 11783 diff --git a/train/images/molecule_1161.png b/train/images/molecule_1161.png new file mode 100644 index 0000000000000000000000000000000000000000..c72e25d1042ddd0dfdf817518740f75a8c31527e --- /dev/null +++ b/train/images/molecule_1161.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0aef01a21d1d33595c7223457fb60dc0e27a01a220eb3d6d74d57b4111957e55 +size 10602 diff --git a/train/images/molecule_1162.png b/train/images/molecule_1162.png new file mode 100644 index 0000000000000000000000000000000000000000..3d165889bcf322018305f3fe6eafacbda543135f --- /dev/null +++ b/train/images/molecule_1162.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ce99a95b5a33a9a4cc0fc16ee17b69cf66932638796cb435691bd56c11bbd35 +size 13659 diff --git a/train/images/molecule_1163.png b/train/images/molecule_1163.png new file mode 100644 index 0000000000000000000000000000000000000000..3c8440d210ecc32cb4083d82088f48aba8d5dedd --- /dev/null +++ b/train/images/molecule_1163.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d9a474f908712d1f920a1a408aff0e8bdb7a46405283be52a1e0ce56aecdda1 +size 8901 diff --git a/train/images/molecule_1164.png b/train/images/molecule_1164.png new file mode 100644 index 0000000000000000000000000000000000000000..a9ac149af830a02a1ccbec064596c6e7b659c680 --- /dev/null +++ b/train/images/molecule_1164.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7783ae9d6333afef141fe6d22bd06e0ad70302846476a975799264eb6f0370b1 +size 10330 diff --git a/train/images/molecule_1165.png b/train/images/molecule_1165.png new file mode 100644 index 0000000000000000000000000000000000000000..cd8f8b649d006b81d8e02ee32c3ea25f53e4b29b --- /dev/null +++ b/train/images/molecule_1165.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:383b49f2d721895ef539963c64100dabff83c257334c11c4e65e8220dabccde3 +size 11679 diff --git a/train/images/molecule_1166.png b/train/images/molecule_1166.png new file mode 100644 index 0000000000000000000000000000000000000000..138255bfc8bfc4643cd9105833e72426a307a530 --- /dev/null +++ b/train/images/molecule_1166.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:33c284309df06f4d51b444711ff1fb0ef39030ac73d6325392e63041b5ba8502 +size 11451 diff --git a/train/images/molecule_1167.png b/train/images/molecule_1167.png new file mode 100644 index 0000000000000000000000000000000000000000..c04af1207b75db26ea546c1bd436f612df972225 --- /dev/null +++ b/train/images/molecule_1167.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2f8f97bbc4fc92525ea54a09b4303682e63d41c395ab25f9a3b9ec40476c69b0 +size 14041 diff --git a/train/images/molecule_1168.png b/train/images/molecule_1168.png new file mode 100644 index 0000000000000000000000000000000000000000..cf6fb91f68f9451353a5cbbf71a9ea44860dfe27 --- /dev/null +++ b/train/images/molecule_1168.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93e66f2310c57e232d0fa6460932e0b542c30a9dc26f9f896b400f0321c0eb97 +size 10667 diff --git a/train/images/molecule_1169.png b/train/images/molecule_1169.png new file mode 100644 index 0000000000000000000000000000000000000000..dd7cf4f4d5d66f5473fd6bf050d8b4daf5e86433 --- /dev/null +++ b/train/images/molecule_1169.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8b73cb789edf53c1a36359b0e78ddcd9f58784d7bf2b6117a9a4cfacbc89fabb +size 10693 diff --git a/train/images/molecule_117.png b/train/images/molecule_117.png new file mode 100644 index 0000000000000000000000000000000000000000..f17ec6e92a2ec97fd833e3b8d118931535d84023 --- /dev/null +++ b/train/images/molecule_117.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8e1253efa1e086c8f658043b4d0bde24b7bca3ffb458faf38bac8a1146c4ad2b +size 11551 diff --git a/train/images/molecule_1170.png b/train/images/molecule_1170.png new file mode 100644 index 0000000000000000000000000000000000000000..e22800f894a8d117fa40871038f7bfe1d0fa22e0 --- /dev/null +++ b/train/images/molecule_1170.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3777831221a8ccf9296359c049920a610ac558aaae61274c8e4d38e56275a768 +size 11761 diff --git a/train/images/molecule_1171.png b/train/images/molecule_1171.png new file mode 100644 index 0000000000000000000000000000000000000000..4b567a003b84dac49350f04e67be3d337d340e1e --- /dev/null +++ b/train/images/molecule_1171.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c979d77b48516602de141a2f1c6a8ed5b29134d5e8d27a5679fb3606b18cd985 +size 11282 diff --git a/train/images/molecule_1172.png b/train/images/molecule_1172.png new file mode 100644 index 0000000000000000000000000000000000000000..4e17b78ffb38d0faf39d0864a43063011d87134e --- /dev/null +++ b/train/images/molecule_1172.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4087b8c97c086e0bf05803f4f8cd1bb94e273e3507f78f4610f9a62053439669 +size 12873 diff --git a/train/images/molecule_1173.png b/train/images/molecule_1173.png new file mode 100644 index 0000000000000000000000000000000000000000..18fe145758a7f9a9967519dc02e594fa21f0a0ac --- /dev/null +++ b/train/images/molecule_1173.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f28cab1fb0b4f4478c37a03ec0fbfa18a4f1a8357a902deff5a4434188924ab +size 14139 diff --git a/train/images/molecule_1174.png b/train/images/molecule_1174.png new file mode 100644 index 0000000000000000000000000000000000000000..09cb862d9ff8bf2bf6e63fc34934c77a1b48bd3e --- /dev/null +++ b/train/images/molecule_1174.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:42c06ff2efbc62267035922a747ba20216a5beea0f79ce346e61ba5be950b027 +size 10836 diff --git a/train/images/molecule_1175.png b/train/images/molecule_1175.png new file mode 100644 index 0000000000000000000000000000000000000000..6dbfdd40179e46cecda9acbe83b9968483576885 --- /dev/null +++ b/train/images/molecule_1175.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ac750e1756e2df04f59e3994243d874a0ade7aec7c67d18121aa11d281420f6 +size 12178 diff --git a/train/images/molecule_1176.png b/train/images/molecule_1176.png new file mode 100644 index 0000000000000000000000000000000000000000..4b17496885603f154e3060a85ab16178a811d218 --- /dev/null +++ b/train/images/molecule_1176.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0f700f4697127a5395bd9539b172491ec9225dea5d97384b50f8b9b8d82009b2 +size 13093 diff --git a/train/images/molecule_1177.png b/train/images/molecule_1177.png new file mode 100644 index 0000000000000000000000000000000000000000..c59f6a2db1327759ef672690b09a1c051bac8240 --- /dev/null +++ b/train/images/molecule_1177.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:812eb5314c9a834467b7eeb9c866d09aa923bd9ab6c1a8d43c51e2398bb8d326 +size 10292 diff --git a/train/images/molecule_1178.png b/train/images/molecule_1178.png new file mode 100644 index 0000000000000000000000000000000000000000..7d7016aa92af5a3dfc34464c507dfced41c19c0e --- /dev/null +++ b/train/images/molecule_1178.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9af8ab3cc5da4ed482eef4dd488ed97dc5535561a0261505f1cd73a2391f8a78 +size 8536 diff --git a/train/images/molecule_1179.png b/train/images/molecule_1179.png new file mode 100644 index 0000000000000000000000000000000000000000..719eeee197d0116b77a0ae2fefe8575fd107a653 --- /dev/null +++ b/train/images/molecule_1179.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ce62c8cfce1b02862b155e9f98dc5c0c42d74078af1011ebcc8082b54942f7b +size 9975 diff --git a/train/images/molecule_118.png b/train/images/molecule_118.png new file mode 100644 index 0000000000000000000000000000000000000000..5d1b76f055b508b3be48031f1704bfe17815789b --- /dev/null +++ b/train/images/molecule_118.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:622bc78624fa012ef982c6742fa687695601ebca493a989ee94f1d616229435a +size 12455 diff --git a/train/images/molecule_1180.png b/train/images/molecule_1180.png new file mode 100644 index 0000000000000000000000000000000000000000..c515a87ce8ec94c54189033f2a8134f32b1508a0 --- /dev/null +++ b/train/images/molecule_1180.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c53e4f16c785ce856e437efccdac97e616bffefc2b5bc08c43a1b98794fac03 +size 11097 diff --git a/train/images/molecule_1181.png b/train/images/molecule_1181.png new file mode 100644 index 0000000000000000000000000000000000000000..f85bf6c6ffa72b5ff562a1df2b27176c9477e271 --- /dev/null +++ b/train/images/molecule_1181.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e768aa87420504f400197c4e7f32d1052b96e09890017ab6bd44d5bb67df607 +size 9473 diff --git a/train/images/molecule_1182.png b/train/images/molecule_1182.png new file mode 100644 index 0000000000000000000000000000000000000000..fb16a30c22befb89428843a65229b7339531c2da --- /dev/null +++ b/train/images/molecule_1182.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f99adc809be7563989f0a0cf5faea387b5772ad970050920582cdcf829fa1acc +size 11556 diff --git a/train/images/molecule_1183.png b/train/images/molecule_1183.png new file mode 100644 index 0000000000000000000000000000000000000000..af250d3fdb7298be101797eebe12827487877ba7 --- /dev/null +++ b/train/images/molecule_1183.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a728a846fdd086c649797a8ebf918b1e3e98e34b5df9f8c1828339106001c80c +size 11781 diff --git a/train/images/molecule_1184.png b/train/images/molecule_1184.png new file mode 100644 index 0000000000000000000000000000000000000000..f1e0d0bbb604dad57d9bb96bce08ed61e21a68a8 --- /dev/null +++ b/train/images/molecule_1184.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54c27b221b99271177dd248f8c88818458e451b0c3fcac7b65278c5864838be8 +size 8921 diff --git a/train/images/molecule_1185.png b/train/images/molecule_1185.png new file mode 100644 index 0000000000000000000000000000000000000000..f0e36dfa53b34440b566ac467365724894e5b8ff --- /dev/null +++ b/train/images/molecule_1185.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5e06545ea15cf800cd806b5f14959db563f094a694df12c51e0e0340df2be67 +size 10844 diff --git a/train/images/molecule_1186.png b/train/images/molecule_1186.png new file mode 100644 index 0000000000000000000000000000000000000000..038a5ed0abe0dfcdeb5da61fa89a234c06862dff --- /dev/null +++ b/train/images/molecule_1186.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af2d65c94e7f2d584ded1bdbf7703b1135d87eeaa072451be9af0a329c021c10 +size 13559 diff --git a/train/images/molecule_1187.png b/train/images/molecule_1187.png new file mode 100644 index 0000000000000000000000000000000000000000..115da8962ea78342dc732e1fc2e2e88ee280a5fa --- /dev/null +++ b/train/images/molecule_1187.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afe7c98a7f6292a557f563b316e11ce511684b53e2675167a6d8df2082eb2791 +size 12722 diff --git a/train/images/molecule_1188.png b/train/images/molecule_1188.png new file mode 100644 index 0000000000000000000000000000000000000000..c84447c26dc95477ca69fccc4dcb00509af74f42 --- /dev/null +++ b/train/images/molecule_1188.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06a8b9f5fe326aea67197974bf9b1991f0a838626dcdd5aee898d13cb29db9f4 +size 9480 diff --git a/train/images/molecule_1189.png b/train/images/molecule_1189.png new file mode 100644 index 0000000000000000000000000000000000000000..709729aa4e0e207e3a360232b3163eda1a5b514f --- /dev/null +++ b/train/images/molecule_1189.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bab7ba8720ec6bc54109e9a5db377407a4731b4b281fdb510d00e8312a180263 +size 11271 diff --git a/train/images/molecule_119.png b/train/images/molecule_119.png new file mode 100644 index 0000000000000000000000000000000000000000..503963e585629d1c6a798bbae7b62cee08f2b477 --- /dev/null +++ b/train/images/molecule_119.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8418c9bdfd6d9cedf05a9a4e029a1097bd2a6a54a5016da2a98ac2ac23d49990 +size 8063 diff --git a/train/images/molecule_1190.png b/train/images/molecule_1190.png new file mode 100644 index 0000000000000000000000000000000000000000..3f8bc4f5a46eb0b4a3db782b6b638ec854e1e290 --- /dev/null +++ b/train/images/molecule_1190.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:86411ae288ef27f29ffd5036e79a76973497dea8e244c7eed27673fa5810b99f +size 14454 diff --git a/train/images/molecule_1191.png b/train/images/molecule_1191.png new file mode 100644 index 0000000000000000000000000000000000000000..e298d22435b9a9f0f728eafb0022d7f71963b143 --- /dev/null +++ b/train/images/molecule_1191.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d5020f38b49791f3d3409e0fb46595b59cb1ddaf9f33881416e8d704ae332aa +size 11394 diff --git a/train/images/molecule_1192.png b/train/images/molecule_1192.png new file mode 100644 index 0000000000000000000000000000000000000000..9fd7ce261ce9dadd89c61350909a5f455b5dd996 --- /dev/null +++ b/train/images/molecule_1192.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d62dc0a649aae0b7de4516c8a5e362007c46410c73d9567938a2a689e5c43fca +size 11608 diff --git a/train/images/molecule_1193.png b/train/images/molecule_1193.png new file mode 100644 index 0000000000000000000000000000000000000000..b3cacbf3e0a86a1f2c38c06fbbc335dd2aca82c1 --- /dev/null +++ b/train/images/molecule_1193.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6fd744623e5f2791928ae237ca6a4a9b41e7538d3b1df8993fba6a3874848bdb +size 10330 diff --git a/train/images/molecule_1194.png b/train/images/molecule_1194.png new file mode 100644 index 0000000000000000000000000000000000000000..4bd06932e74783d91f8a3a7622e1ccc1e0b4fa41 --- /dev/null +++ b/train/images/molecule_1194.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d90062cc893a9ff2122d2ecc811198c6d8c203d6e0678451faacbe9da81fea75 +size 11223 diff --git a/train/images/molecule_1195.png b/train/images/molecule_1195.png new file mode 100644 index 0000000000000000000000000000000000000000..c81379b6dc374c163717a5219404a082b0ccb439 --- /dev/null +++ b/train/images/molecule_1195.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:929311237057ed4fce885202dcfb970e7816eb48f5fab0102c18aa772c5632cc +size 11682 diff --git a/train/images/molecule_1196.png b/train/images/molecule_1196.png new file mode 100644 index 0000000000000000000000000000000000000000..193641c7505ca169a6ce87363ff74c61194816af --- /dev/null +++ b/train/images/molecule_1196.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0f70a94de595e64ae8b77b39617ee1e6b7142ff7a7efbb6b6dd33ffce69c493f +size 10601 diff --git a/train/images/molecule_1197.png b/train/images/molecule_1197.png new file mode 100644 index 0000000000000000000000000000000000000000..577227b31378caa25bbb7f05c7a463f0d7d8a79b --- /dev/null +++ b/train/images/molecule_1197.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c3a005d863ef922287ac74f846f14c14b64dae4b27fb5fa0a04cb59524c39ae1 +size 14835 diff --git a/train/images/molecule_1198.png b/train/images/molecule_1198.png new file mode 100644 index 0000000000000000000000000000000000000000..736138dcf688c9378fdd671ceb2f8d936c43c4dd --- /dev/null +++ b/train/images/molecule_1198.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8ff59a46011c20d3c9120cc8787899c7b95c5bdb897ebd98c8f468d7675153ec +size 12084 diff --git a/train/images/molecule_1199.png b/train/images/molecule_1199.png new file mode 100644 index 0000000000000000000000000000000000000000..e2f8198cbb7163f9ee45c0fc2ec6b696d5a5f9e5 --- /dev/null +++ b/train/images/molecule_1199.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:939838b360cbeb6c268ae10a629c07bca4eee2b73a386db5c2e21ea0d082a6fe +size 7631 diff --git a/train/images/molecule_12.png b/train/images/molecule_12.png new file mode 100644 index 0000000000000000000000000000000000000000..150b5f05c3b457fda92778b534abc7985f22cb0d --- /dev/null +++ b/train/images/molecule_12.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b14f072c76c252c4f34f3cb1adaa911b67e25640eb9e7633d3a14352e82bc94 +size 10368 diff --git a/train/images/molecule_120.png b/train/images/molecule_120.png new file mode 100644 index 0000000000000000000000000000000000000000..ac42d846c1ab74bfa4b6fc0aa08de0585422bc6e --- /dev/null +++ b/train/images/molecule_120.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11678a975465311650a7650e9d273e1a57b38f245e480b35592bfd0e7e48d094 +size 8739 diff --git a/train/images/molecule_121.png b/train/images/molecule_121.png new file mode 100644 index 0000000000000000000000000000000000000000..6aaaf48c0dfef357dd3a040b4965dc6bfbf4a338 --- /dev/null +++ b/train/images/molecule_121.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cfb78bed62e01f0d9f7290f32b670384c896c75c759f192daa22eddf71c07aa8 +size 14754 diff --git a/train/images/molecule_122.png b/train/images/molecule_122.png new file mode 100644 index 0000000000000000000000000000000000000000..7cf23104c176b93bb191c544418776e3ed0b9188 --- /dev/null +++ b/train/images/molecule_122.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f53efe6ac46626cb9993e4715f258fcfbdf698039de95b9f2c29c1c6a0cfce9 +size 8798 diff --git a/train/images/molecule_123.png b/train/images/molecule_123.png new file mode 100644 index 0000000000000000000000000000000000000000..44e490ad9bd9a17d8bb92599e4b8d5880dc67437 --- /dev/null +++ b/train/images/molecule_123.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:08f295e2542ba7c9dccd33396ea71bfca5e2fc322ccd36c39c39bf9cf8418fe5 +size 12216 diff --git a/train/images/molecule_124.png b/train/images/molecule_124.png new file mode 100644 index 0000000000000000000000000000000000000000..f93deea3abde2074a818563909c22ec04b0eb24b --- /dev/null +++ b/train/images/molecule_124.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:21e9718ca8ed16acf5b9aec51a319813efcb7d06c292fecaceb9942572c689a7 +size 12681 diff --git a/train/images/molecule_125.png b/train/images/molecule_125.png new file mode 100644 index 0000000000000000000000000000000000000000..186bf14112264230daa3d4fc72782a82d3a9dbb9 --- /dev/null +++ b/train/images/molecule_125.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:964a3d0020161836cf35a9ce044df201250225aeba0e7f324c7a158513a5b3fa +size 11559 diff --git a/train/images/molecule_126.png b/train/images/molecule_126.png new file mode 100644 index 0000000000000000000000000000000000000000..be10ccd77fe3be4810b4793952a283f0afcdde7f --- /dev/null +++ b/train/images/molecule_126.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:384ad36a179a2f43ed98ec00d931b8849a0163d04decc442d7557675a1ae34d4 +size 8687 diff --git a/train/images/molecule_127.png b/train/images/molecule_127.png new file mode 100644 index 0000000000000000000000000000000000000000..8032aa19787274919652fd9513efa86a622547e7 --- /dev/null +++ b/train/images/molecule_127.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dee364f9839c46197291e94e13d8eb23fb74180d4cfd367cd7703cc9b50e1f1c +size 14737 diff --git a/train/images/molecule_128.png b/train/images/molecule_128.png new file mode 100644 index 0000000000000000000000000000000000000000..aa76862805f9389c551c8055cdfb9a1f7db95562 --- /dev/null +++ b/train/images/molecule_128.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2fa0bf971ad22b907c393821f2ba14929d1f4a16ea0aa8f9b2b4b6f55ac91998 +size 11990 diff --git a/train/images/molecule_129.png b/train/images/molecule_129.png new file mode 100644 index 0000000000000000000000000000000000000000..010d153fcfd429675fac20127ef500eee0544fd5 --- /dev/null +++ b/train/images/molecule_129.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9410daba5dcee1e9fc58440da78c641c7317b5eb9b929c2eb17f86cf9294820 +size 10219 diff --git a/train/images/molecule_13.png b/train/images/molecule_13.png new file mode 100644 index 0000000000000000000000000000000000000000..50efed0a8408b6678c9f90727200db99260090ce --- /dev/null +++ b/train/images/molecule_13.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:81b6f19fc59dfc090b59942d134155110cdccbc7deabc3c2a57d8b981db22786 +size 11464 diff --git a/train/images/molecule_130.png b/train/images/molecule_130.png new file mode 100644 index 0000000000000000000000000000000000000000..ed669a4feaf4ce9f23016512f1d091f954ad6cb3 --- /dev/null +++ b/train/images/molecule_130.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d936e375d0349faf1409858d486c1209c7e0f1c3c4d443db605241bd1d0727a2 +size 10660 diff --git a/train/images/molecule_131.png b/train/images/molecule_131.png new file mode 100644 index 0000000000000000000000000000000000000000..96f277bcd0379ce5dcee007d4eb9a7e11cde6e99 --- /dev/null +++ b/train/images/molecule_131.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:03909076cddc2600b0e593d62f74166f437002add37753e22324c8e517c221c5 +size 9888 diff --git a/train/images/molecule_132.png b/train/images/molecule_132.png new file mode 100644 index 0000000000000000000000000000000000000000..ee7030b07b9b956e5d88f6dc56346e2e922afcbf --- /dev/null +++ b/train/images/molecule_132.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b45e5250b24406d505c622a662ad8b8198d73d773eb1c24071cdff86dd4556cf +size 9991 diff --git a/train/images/molecule_133.png b/train/images/molecule_133.png new file mode 100644 index 0000000000000000000000000000000000000000..e9ba48c6c47f2a132e8549455dcb4ccc515ced05 --- /dev/null +++ b/train/images/molecule_133.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9dc5afbc12db0c5b39091fe83c8d876fc658215bd46ac48acd4a641f5ce8f9d +size 10296 diff --git a/train/images/molecule_134.png b/train/images/molecule_134.png new file mode 100644 index 0000000000000000000000000000000000000000..1d5a05942d12890ad2006b2644aefcb3c97e78a8 --- /dev/null +++ b/train/images/molecule_134.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62b8c74d276126d4ddaa8913d3adafd8983f896d023c6dad27ed5e7cd4685c9e +size 10912 diff --git a/train/images/molecule_135.png b/train/images/molecule_135.png new file mode 100644 index 0000000000000000000000000000000000000000..ce0520a6b90e909b4a11a4ef7d55457e7cf3cc3e --- /dev/null +++ b/train/images/molecule_135.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1653fe6e5cd0b8950e3add69ba026496b67ecf2b1129835031ec781b8ac16481 +size 11638 diff --git a/train/images/molecule_136.png b/train/images/molecule_136.png new file mode 100644 index 0000000000000000000000000000000000000000..5d9352f3767e3aae43234c42af8e8ffe834eab48 --- /dev/null +++ b/train/images/molecule_136.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c5534e26e1b3c51c1d59bebc9e708327168878fbd65c7e8e54db249dbc69f91 +size 9047 diff --git a/train/images/molecule_137.png b/train/images/molecule_137.png new file mode 100644 index 0000000000000000000000000000000000000000..7dd9fd62d4c8d7d8a4bc9e11c9cadf2c4fa9dbef --- /dev/null +++ b/train/images/molecule_137.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa0b33663648a4c7b9efd7a55e9cdbd6a2e161131126473403558dd418109624 +size 9796 diff --git a/train/images/molecule_138.png b/train/images/molecule_138.png new file mode 100644 index 0000000000000000000000000000000000000000..489b325957126709b243a45b29e413f83e23c4cc --- /dev/null +++ b/train/images/molecule_138.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:52086b09f228b5d7b23aabb7f634be1e56161f3673b4ca9ed066f1a9573e6cbe +size 9794 diff --git a/train/images/molecule_139.png b/train/images/molecule_139.png new file mode 100644 index 0000000000000000000000000000000000000000..b231fbf44019effc1754e0bd5b2a2edf8209221f --- /dev/null +++ b/train/images/molecule_139.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a1b51e7b45607f3772e5526e4bdac4526eb109af696ec078e76b982697bbbc1 +size 9718 diff --git a/train/images/molecule_14.png b/train/images/molecule_14.png new file mode 100644 index 0000000000000000000000000000000000000000..dfa59c9c7d8202d931f25c39e8a92e7efc15e2e5 --- /dev/null +++ b/train/images/molecule_14.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:779fe1379b25b7b24aa7f5c36ead219a297bf853e8044afa0414d14d49d61a5e +size 14651 diff --git a/train/images/molecule_140.png b/train/images/molecule_140.png new file mode 100644 index 0000000000000000000000000000000000000000..a9ac149af830a02a1ccbec064596c6e7b659c680 --- /dev/null +++ b/train/images/molecule_140.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7783ae9d6333afef141fe6d22bd06e0ad70302846476a975799264eb6f0370b1 +size 10330 diff --git a/train/images/molecule_141.png b/train/images/molecule_141.png new file mode 100644 index 0000000000000000000000000000000000000000..03123976c5c567a70b7ae257d1bc7f0e60d225dd --- /dev/null +++ b/train/images/molecule_141.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b21667231c86d3df03be5fa4e365f3200837e0ea12feefe0026b081b50363ed7 +size 9916 diff --git a/train/images/molecule_142.png b/train/images/molecule_142.png new file mode 100644 index 0000000000000000000000000000000000000000..7e93afc6e9f429171cfc8224db3ca8e66aa6adff --- /dev/null +++ b/train/images/molecule_142.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4880114b76b678b5c769ed52b40d262cb88a3cd156a3ebb542197a0e804b62e +size 10943 diff --git a/train/images/molecule_143.png b/train/images/molecule_143.png new file mode 100644 index 0000000000000000000000000000000000000000..c81379b6dc374c163717a5219404a082b0ccb439 --- /dev/null +++ b/train/images/molecule_143.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:929311237057ed4fce885202dcfb970e7816eb48f5fab0102c18aa772c5632cc +size 11682 diff --git a/train/images/molecule_144.png b/train/images/molecule_144.png new file mode 100644 index 0000000000000000000000000000000000000000..d4e07664f3bc773216e4f1ef1020e285c434c845 --- /dev/null +++ b/train/images/molecule_144.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c480177c83e132a1b79956895abfa9f87c4b4fe24e22612bbc835b06a25e573e +size 8900 diff --git a/train/images/molecule_145.png b/train/images/molecule_145.png new file mode 100644 index 0000000000000000000000000000000000000000..7facd43d35705d3d41d1b49933984a13aa3601cf --- /dev/null +++ b/train/images/molecule_145.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b3cd5c7905b00623e2be95cdddade22362dcc16098ee5982bd2e74b8e3afbe4 +size 14195 diff --git a/train/images/molecule_146.png b/train/images/molecule_146.png new file mode 100644 index 0000000000000000000000000000000000000000..8fd10bb5384bf9cdc1daeba022080d26db6eb76a --- /dev/null +++ b/train/images/molecule_146.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa0feaa2526b1dda46e2076d3446e115fff0106d64cd1bfbbb673a21aa506ce9 +size 8285 diff --git a/train/images/molecule_147.png b/train/images/molecule_147.png new file mode 100644 index 0000000000000000000000000000000000000000..5ad92ef3892ddc0dfd79e0740d970f90cd4b8a56 --- /dev/null +++ b/train/images/molecule_147.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e225cdab586bbdb934bb4d934634cdd4356c8a1772de75505463e6ea6ca35e69 +size 9998 diff --git a/train/images/molecule_148.png b/train/images/molecule_148.png new file mode 100644 index 0000000000000000000000000000000000000000..2389d31c550fc680e8742446fe76e82fe581de65 --- /dev/null +++ b/train/images/molecule_148.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0792bc8f236d7a23d29c7170d67b2c6213ccb790330c569d67ffaf93ba38aadd +size 12860 diff --git a/train/images/molecule_149.png b/train/images/molecule_149.png new file mode 100644 index 0000000000000000000000000000000000000000..be4d9602fe5513eb358c4284c30d280e75c7f929 --- /dev/null +++ b/train/images/molecule_149.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:594e31d820990dc4b0b9a193966f1143b808361d08be5bf41d8d740b96ac9dab +size 12781 diff --git a/train/images/molecule_15.png b/train/images/molecule_15.png new file mode 100644 index 0000000000000000000000000000000000000000..0ab81f86fbc15b0de772c8a2ffc9da7bf5ce17b2 --- /dev/null +++ b/train/images/molecule_15.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2fe872805b5b0be946ba2972d9d096c839bef46eb4b294939a020c5801385ed1 +size 12113 diff --git a/train/images/molecule_150.png b/train/images/molecule_150.png new file mode 100644 index 0000000000000000000000000000000000000000..4c89911f2e6962572d2c38172710e3b06b607138 --- /dev/null +++ b/train/images/molecule_150.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:39037a861efbaceec5adbf80fdf73eddcea81fe2fcc1554d89cca64c7f7c5c47 +size 12127 diff --git a/train/images/molecule_151.png b/train/images/molecule_151.png new file mode 100644 index 0000000000000000000000000000000000000000..14884fe41ed10456dcba371bcafc5830dc80fee4 --- /dev/null +++ b/train/images/molecule_151.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4265f2db1eadee0e9284ed4c9809f200c4fca0cbc60dfc5e7f60d69eb40a359d +size 8864 diff --git a/train/images/molecule_152.png b/train/images/molecule_152.png new file mode 100644 index 0000000000000000000000000000000000000000..98e723c69be77e7f3410bbaa256f66ce2122af24 --- /dev/null +++ b/train/images/molecule_152.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2095b6e5b740b3e99732c3539be3d2b07b37874a6aecf947c9236e11225ea71e +size 11143 diff --git a/train/images/molecule_153.png b/train/images/molecule_153.png new file mode 100644 index 0000000000000000000000000000000000000000..bd58b4ca9957892b5fa862cb629b8e8aae14ad8c --- /dev/null +++ b/train/images/molecule_153.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1efc99ff908d6c5cd7989407125c8529401226109483f4c0e761ab7aac3ba352 +size 9015 diff --git a/train/images/molecule_154.png b/train/images/molecule_154.png new file mode 100644 index 0000000000000000000000000000000000000000..ece39048268ac85d1e4b96395f0e84f67d81d1c2 --- /dev/null +++ b/train/images/molecule_154.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea9a55098442aa6873a0429688ac23ef1350b36bfedd7533d901403bda909026 +size 11641 diff --git a/train/images/molecule_155.png b/train/images/molecule_155.png new file mode 100644 index 0000000000000000000000000000000000000000..ca574635a2850ff5b440d2d354f1cd63e57d47a9 --- /dev/null +++ b/train/images/molecule_155.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5f5760c449118c3463d69d9a97933915e00382b9500b40cd1f13c984223c859 +size 9930 diff --git a/train/images/molecule_156.png b/train/images/molecule_156.png new file mode 100644 index 0000000000000000000000000000000000000000..626812c57499c2a30c4f21a248490651d5ce8565 --- /dev/null +++ b/train/images/molecule_156.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:acd8ff6e0515e39c30ca5c2d7a1e4dbbd67c4be1f68e4008cb3e71e9bd10ddb2 +size 10781 diff --git a/train/images/molecule_157.png b/train/images/molecule_157.png new file mode 100644 index 0000000000000000000000000000000000000000..bdcc3e61cdf12d495e947bc4b3a0fb443bfe3da4 --- /dev/null +++ b/train/images/molecule_157.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ad775460d1abeccd54085014819359ae2883a0750a01773f527f1ace1104e03 +size 11220 diff --git a/train/images/molecule_158.png b/train/images/molecule_158.png new file mode 100644 index 0000000000000000000000000000000000000000..8a66ea457d80695c366d255fc4240278a16e35c7 --- /dev/null +++ b/train/images/molecule_158.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:431fdc2066393c09afd58b15466e47d67400aa6e8b05a79e99cf16e8050cae22 +size 10660 diff --git a/train/images/molecule_159.png b/train/images/molecule_159.png new file mode 100644 index 0000000000000000000000000000000000000000..0dcd7b7758061d0287ac1faf761d0dd663ba39b2 --- /dev/null +++ b/train/images/molecule_159.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ebf9d12b19f50476c2562dc1d247e2bd4fa75bf4291a8fbc1664c59a18484f7 +size 9970 diff --git a/train/images/molecule_16.png b/train/images/molecule_16.png new file mode 100644 index 0000000000000000000000000000000000000000..e6448b030fe8f975d960d7600c00b2f012a979ef --- /dev/null +++ b/train/images/molecule_16.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fdde4e6dda5970f67f0c15cd7fa562fae01247c2604b0db422e5c758a8f77c38 +size 12515 diff --git a/train/images/molecule_160.png b/train/images/molecule_160.png new file mode 100644 index 0000000000000000000000000000000000000000..ff0f39f9635ceb71cde1ed5b27ef733430eee0a5 --- /dev/null +++ b/train/images/molecule_160.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bbae769cf70c84f3743bbd99ac3fd4f2551707b593c68408a181dfce7e497579 +size 11839 diff --git a/train/images/molecule_161.png b/train/images/molecule_161.png new file mode 100644 index 0000000000000000000000000000000000000000..c927c1e9295761dcd9829d5624b031d2f6f89b4d --- /dev/null +++ b/train/images/molecule_161.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1103caccaf1827eb16cd82d3b6341948d6583e73dbefc3e891f8652b1400c441 +size 12512 diff --git a/train/images/molecule_162.png b/train/images/molecule_162.png new file mode 100644 index 0000000000000000000000000000000000000000..576fde19a2cd4a57d96639fe8c193868dc75a4e2 --- /dev/null +++ b/train/images/molecule_162.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7d3a02a8e7b3a50a9d997de6506ea0ebc2013f48da72b605f6d26d74f384f717 +size 9528 diff --git a/train/images/molecule_163.png b/train/images/molecule_163.png new file mode 100644 index 0000000000000000000000000000000000000000..cf025bf48eeebe16c75ad07d84cfbb90193c53d2 --- /dev/null +++ b/train/images/molecule_163.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b77c6403d40d1a6de2cc6c2903438bb374210ebc51a1c897f17d88053d74c08 +size 12364 diff --git a/train/images/molecule_164.png b/train/images/molecule_164.png new file mode 100644 index 0000000000000000000000000000000000000000..8fe4dca73ff5ed1977d3b4244dbf15da994602e1 --- /dev/null +++ b/train/images/molecule_164.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb24e061d8e584a7f204e1d629ad2cced76747f55531a9652e6f321d1e55bb68 +size 11034 diff --git a/train/images/molecule_165.png b/train/images/molecule_165.png new file mode 100644 index 0000000000000000000000000000000000000000..06f717a5afe3d23656ea262f1580525c2bd1b129 --- /dev/null +++ b/train/images/molecule_165.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec44a2d968d9eb628aaae2fe621990d5569c820d7cc4b3c361e56c9b79a99c3a +size 11311 diff --git a/train/images/molecule_166.png b/train/images/molecule_166.png new file mode 100644 index 0000000000000000000000000000000000000000..76581108d596c447e6daef7dfab3cee5ec2f6a40 --- /dev/null +++ b/train/images/molecule_166.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a13bc3dc7c43fea6f16369d0728fa60128768a3c05901e743df1891bc00b2c28 +size 11036 diff --git a/train/images/molecule_167.png b/train/images/molecule_167.png new file mode 100644 index 0000000000000000000000000000000000000000..a21ec08c48aa81ff8e68dad0941c3b21cb975dc2 --- /dev/null +++ b/train/images/molecule_167.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea12642c7fac24fd83a4e387f23ffccb113c2053f7c00566ffea87f23a3fdd10 +size 11254 diff --git a/train/images/molecule_168.png b/train/images/molecule_168.png new file mode 100644 index 0000000000000000000000000000000000000000..923f1109e74772fdf94b29906af1e41c4451973d --- /dev/null +++ b/train/images/molecule_168.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25c600f7222915c40cbfc67ec98dd26a88fa87716950a162ebc113678255416b +size 14617 diff --git a/train/images/molecule_169.png b/train/images/molecule_169.png new file mode 100644 index 0000000000000000000000000000000000000000..320cb869ecf079de50c1c8406b02bab71a4af346 --- /dev/null +++ b/train/images/molecule_169.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e811df867f04140a2cde1003a32af97a148fdc526822a31acaaf9ff67c4c5e9a +size 8865 diff --git a/train/images/molecule_17.png b/train/images/molecule_17.png new file mode 100644 index 0000000000000000000000000000000000000000..53bbd46e1942e774160a40671a4edcc18a989785 --- /dev/null +++ b/train/images/molecule_17.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7fdf3e48e071b3d49d4fde8dc0ea8dda7dfc16930a3a63416112a81e954bc79b +size 10168 diff --git a/train/images/molecule_170.png b/train/images/molecule_170.png new file mode 100644 index 0000000000000000000000000000000000000000..2bb4d70f1965115779e82fa9587473118ecf2cdc --- /dev/null +++ b/train/images/molecule_170.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d2ddc371d6d08117b96f9a462c2faf6e50668f89fd83037b0d50dcf36e22c7a +size 11616 diff --git a/train/images/molecule_171.png b/train/images/molecule_171.png new file mode 100644 index 0000000000000000000000000000000000000000..6554baede43ddd8867c263222cc2264ec5c46a9b --- /dev/null +++ b/train/images/molecule_171.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04babc7b4472fad70a83385a3e09debbe86733fb87db1c5ddee68019dce5b19d +size 12030 diff --git a/train/images/molecule_172.png b/train/images/molecule_172.png new file mode 100644 index 0000000000000000000000000000000000000000..380714ac0d002c3595a9997dc619468d2300e482 --- /dev/null +++ b/train/images/molecule_172.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d0b5b02941d54385f780ba81a0785621c4b0f424ec05a6c01f4ceed990d35a8 +size 9763 diff --git a/train/images/molecule_173.png b/train/images/molecule_173.png new file mode 100644 index 0000000000000000000000000000000000000000..22bb96077ad975f5a4172ca6b8cad426f4c34b87 --- /dev/null +++ b/train/images/molecule_173.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c5ca86bbb149c9d2f99dbf5d61f5908b7c5cc74a7f2fd85ef437a0c2fcee3ded +size 11256 diff --git a/train/images/molecule_174.png b/train/images/molecule_174.png new file mode 100644 index 0000000000000000000000000000000000000000..e8d52e7f3ec36fca6fdbabae6885fea1de9f938a --- /dev/null +++ b/train/images/molecule_174.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d32543002677fcce245ef1f96e1fc12c45dae611e36ae5a8d2e79dc9f727a03 +size 12441 diff --git a/train/images/molecule_175.png b/train/images/molecule_175.png new file mode 100644 index 0000000000000000000000000000000000000000..f684c3780717b77fbe6f2dc9a128177e160d9e59 --- /dev/null +++ b/train/images/molecule_175.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d53bd18e57db64be9ee629a24c71dbf818a6bbebee982f6ebca7ca6d186e280 +size 11815 diff --git a/train/images/molecule_176.png b/train/images/molecule_176.png new file mode 100644 index 0000000000000000000000000000000000000000..602c6fc5811f7c4e7025c037fa4ab51449d3e8e6 --- /dev/null +++ b/train/images/molecule_176.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3253b739e83cb08fd36a6cc095f400fdcd1cf5e4ec2a6a91738276b437bfdf32 +size 10280 diff --git a/train/images/molecule_177.png b/train/images/molecule_177.png new file mode 100644 index 0000000000000000000000000000000000000000..0db3fe88267ad24750e8920842a16128218e1ae4 --- /dev/null +++ b/train/images/molecule_177.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:351f312b74047fe966621a88b89f2e1f8e5222fc9985d3221d83053e46b24dc7 +size 12455 diff --git a/train/images/molecule_178.png b/train/images/molecule_178.png new file mode 100644 index 0000000000000000000000000000000000000000..a8bdcb6b60f534e6d58b7eda11a486d9be256390 --- /dev/null +++ b/train/images/molecule_178.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c299e4fceeaf2bd789268e959457769a704be31f1160e542325749ad38f49626 +size 16678 diff --git a/train/images/molecule_179.png b/train/images/molecule_179.png new file mode 100644 index 0000000000000000000000000000000000000000..86dacb121ddbc2246fc90c545442b886da858895 --- /dev/null +++ b/train/images/molecule_179.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c97536a0356399bdb41950d194677f6987e143201ef71808d0613436a3cadac7 +size 11813 diff --git a/train/images/molecule_18.png b/train/images/molecule_18.png new file mode 100644 index 0000000000000000000000000000000000000000..d97796cacb044a4245a66e41dff881ca1a39b753 --- /dev/null +++ b/train/images/molecule_18.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c27e97a6cab33589ff036d4434882fce3eb3e32a9adf6cd276d2b957d8723569 +size 10206 diff --git a/train/images/molecule_180.png b/train/images/molecule_180.png new file mode 100644 index 0000000000000000000000000000000000000000..736138dcf688c9378fdd671ceb2f8d936c43c4dd --- /dev/null +++ b/train/images/molecule_180.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8ff59a46011c20d3c9120cc8787899c7b95c5bdb897ebd98c8f468d7675153ec +size 12084 diff --git a/train/images/molecule_181.png b/train/images/molecule_181.png new file mode 100644 index 0000000000000000000000000000000000000000..ae31cd517a7c516b5bfa2594766280f41e26fe95 --- /dev/null +++ b/train/images/molecule_181.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b42749c981b93ca55096b70d3de9a1c9345d89efbfd831cbe28fa1ed75bc9c1e +size 11379 diff --git a/train/images/molecule_182.png b/train/images/molecule_182.png new file mode 100644 index 0000000000000000000000000000000000000000..c05ffdc8c48eb4bb405ada88308b72bd66da4b86 --- /dev/null +++ b/train/images/molecule_182.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1967d6378f890972640bcedca5eae4900da35a1524b81c9fbc8fc0fda3cc1757 +size 13449 diff --git a/train/images/molecule_183.png b/train/images/molecule_183.png new file mode 100644 index 0000000000000000000000000000000000000000..4aef3e4807cb0c7dfe019f456fea50ec565b3342 --- /dev/null +++ b/train/images/molecule_183.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8ac9badf435a067c668faa2eff3dd54407656be2e0e50663f81490baf130e420 +size 11397 diff --git a/train/images/molecule_184.png b/train/images/molecule_184.png new file mode 100644 index 0000000000000000000000000000000000000000..d227b783e29021b0d06363090322fe65315d5301 --- /dev/null +++ b/train/images/molecule_184.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:de4e0e9f73353d4723812c0f2aa57632871641cbd20a3ae2c8727bb518e8e92a +size 9994 diff --git a/train/images/molecule_185.png b/train/images/molecule_185.png new file mode 100644 index 0000000000000000000000000000000000000000..a8c979601e42aeafa928d7535224058f956fa68e --- /dev/null +++ b/train/images/molecule_185.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c71290f5c764d5b3e8c58e2efc14c0076624a8093f21639155be109185c8019 +size 16221 diff --git a/train/images/molecule_186.png b/train/images/molecule_186.png new file mode 100644 index 0000000000000000000000000000000000000000..3737a0afbfd59097dccf1243c4e514bc6176dea8 --- /dev/null +++ b/train/images/molecule_186.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1ddbe0fccf8e06d1b47297090f138ed35fe8cfdc119e45c6ffd4c843fa2910a6 +size 12362 diff --git a/train/images/molecule_187.png b/train/images/molecule_187.png new file mode 100644 index 0000000000000000000000000000000000000000..9977bd81c2c06539210bc1a7ea668da363096973 --- /dev/null +++ b/train/images/molecule_187.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bbd0636c4d4fdc79e04288f15237a14c642d6a6df918345003029eaced9d0909 +size 13797 diff --git a/train/images/molecule_188.png b/train/images/molecule_188.png new file mode 100644 index 0000000000000000000000000000000000000000..386bc3af44644c529a9f618eda45715f49256558 --- /dev/null +++ b/train/images/molecule_188.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac551bb1a43d32a22b6d4e57b6adc635c476ba7268b83c5c0149a4090c67a9b1 +size 10622 diff --git a/train/images/molecule_189.png b/train/images/molecule_189.png new file mode 100644 index 0000000000000000000000000000000000000000..9092414bb0cca06514e3bc3c4ada7b9b6048054d --- /dev/null +++ b/train/images/molecule_189.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e3e5efca6ea6feffaf326a9a19ff664a9269838a952ed62ecd821e86866f0e9c +size 13027 diff --git a/train/images/molecule_19.png b/train/images/molecule_19.png new file mode 100644 index 0000000000000000000000000000000000000000..bb16a42179fdc7858be4a060e97d9f0004058580 --- /dev/null +++ b/train/images/molecule_19.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b7899d6ae24b1fce7e76d605a341b0c4f67d4f2ba6198ef8fb7813ef9e91b9b +size 13050 diff --git a/train/images/molecule_190.png b/train/images/molecule_190.png new file mode 100644 index 0000000000000000000000000000000000000000..577227b31378caa25bbb7f05c7a463f0d7d8a79b --- /dev/null +++ b/train/images/molecule_190.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c3a005d863ef922287ac74f846f14c14b64dae4b27fb5fa0a04cb59524c39ae1 +size 14835 diff --git a/train/images/molecule_191.png b/train/images/molecule_191.png new file mode 100644 index 0000000000000000000000000000000000000000..2cf7704bf5990cafdcfa8ee42c3650f2f64907fd --- /dev/null +++ b/train/images/molecule_191.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c61b0c28c92fb2bfc033751c708f8550efcd4e938fde5ac9699615c0df107b80 +size 14346 diff --git a/train/images/molecule_192.png b/train/images/molecule_192.png new file mode 100644 index 0000000000000000000000000000000000000000..0b203eecc7105896940ba57590951301759fec59 --- /dev/null +++ b/train/images/molecule_192.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:63bd637a2840d392c7dc75ad68d506820bbca10f115b875129edfe21351fab8a +size 12643 diff --git a/train/images/molecule_193.png b/train/images/molecule_193.png new file mode 100644 index 0000000000000000000000000000000000000000..8ad2c76953644eca899e5731c117ce7ca8bea49c --- /dev/null +++ b/train/images/molecule_193.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b5ca3a3416ea602fa67a62089a1e1e1ce2ff0887cc99821da272058610c5c9b +size 9300 diff --git a/train/images/molecule_194.png b/train/images/molecule_194.png new file mode 100644 index 0000000000000000000000000000000000000000..5cbf70cdad2b9c05134a29abde808197c594f038 --- /dev/null +++ b/train/images/molecule_194.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac5642971b6d7fbc4178357768a28b1890b768eeadb5c853a808baf9381c9d23 +size 12803 diff --git a/train/images/molecule_195.png b/train/images/molecule_195.png new file mode 100644 index 0000000000000000000000000000000000000000..40516ef354784f4b1e51e79eaade854a6726dd4f --- /dev/null +++ b/train/images/molecule_195.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc5f922ae02c3ad2c1ded8e7f8b64dac4a8e5fcfd23674d312bea706ee400642 +size 10935 diff --git a/train/images/molecule_196.png b/train/images/molecule_196.png new file mode 100644 index 0000000000000000000000000000000000000000..6b9d9157c16709e1a38bded88834cc2d06a2662f --- /dev/null +++ b/train/images/molecule_196.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4655fc7549a00412b45bd715f07f6cec66869ab46a27d387838c728659fd82c2 +size 11781 diff --git a/train/images/molecule_197.png b/train/images/molecule_197.png new file mode 100644 index 0000000000000000000000000000000000000000..3c8440d210ecc32cb4083d82088f48aba8d5dedd --- /dev/null +++ b/train/images/molecule_197.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d9a474f908712d1f920a1a408aff0e8bdb7a46405283be52a1e0ce56aecdda1 +size 8901 diff --git a/train/images/molecule_198.png b/train/images/molecule_198.png new file mode 100644 index 0000000000000000000000000000000000000000..b9c16694f5bc131e323f13055840cbedd226fa3b --- /dev/null +++ b/train/images/molecule_198.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea488da696b4a9e06d82cdbcc4aa56c8283f11fbfe762cfd27dee71605878315 +size 15340 diff --git a/train/images/molecule_199.png b/train/images/molecule_199.png new file mode 100644 index 0000000000000000000000000000000000000000..8e8cef5f6269b4ed2265b21b76061f72b51352f9 --- /dev/null +++ b/train/images/molecule_199.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:609444788d41c837e1ee5bde9f5eb9468bf9a0be11e9ebac7e4dcfb8d5007c28 +size 10078 diff --git a/train/images/molecule_2.png b/train/images/molecule_2.png new file mode 100644 index 0000000000000000000000000000000000000000..5156ed4783a583aeab9f9a366de17c0560c71858 --- /dev/null +++ b/train/images/molecule_2.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e95ec6e00a534e5713afb5f927f3711ef85c863ae9999bc25e2bfc88bd8df400 +size 10836 diff --git a/train/images/molecule_20.png b/train/images/molecule_20.png new file mode 100644 index 0000000000000000000000000000000000000000..c2c0158d34aa58bb93e27828aa371c365c28fd6b --- /dev/null +++ b/train/images/molecule_20.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88b8222654e8ac042e5d6e5ee52ed31679fade495cecc4f06ba50007c2d04f54 +size 12062 diff --git a/train/images/molecule_200.png b/train/images/molecule_200.png new file mode 100644 index 0000000000000000000000000000000000000000..74fc8181c13b08455e9a6e902ad24f16556b32c9 --- /dev/null +++ b/train/images/molecule_200.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a9d5f905f7b1a2da4794dbeec192eaabd91c058ebd5c515934b170234573e0d +size 13276 diff --git a/train/images/molecule_201.png b/train/images/molecule_201.png new file mode 100644 index 0000000000000000000000000000000000000000..121ff659b08c96f9f16457d79b43f98a3c8f25ab --- /dev/null +++ b/train/images/molecule_201.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5914fac912f4e0fa136d6810ff946312ce01bb24a4ad337f3e8a7ad1370c20c +size 8061 diff --git a/train/images/molecule_202.png b/train/images/molecule_202.png new file mode 100644 index 0000000000000000000000000000000000000000..0429a90975d89c8fe1306b905e92a4b3a697d6d3 --- /dev/null +++ b/train/images/molecule_202.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:946aad95a753b19909d8b7e97d4331b39f17e62ffaa71514360598fa46f98981 +size 13627 diff --git a/train/images/molecule_203.png b/train/images/molecule_203.png new file mode 100644 index 0000000000000000000000000000000000000000..2650e9ed8dc7103651ab89a51816af3eec6c9c43 --- /dev/null +++ b/train/images/molecule_203.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf8612cdc838b1440b7037d0beb656c4dc0caaa7bd3f8be126272dbeb45ba6c8 +size 12052 diff --git a/train/images/molecule_204.png b/train/images/molecule_204.png new file mode 100644 index 0000000000000000000000000000000000000000..f0d37cc266b776093e1febb8b749d86c3820b8f4 --- /dev/null +++ b/train/images/molecule_204.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0f114406152dade47b4d50a6551e0da73656f7e8df1d21816fe66dddd38a7776 +size 10386 diff --git a/train/images/molecule_205.png b/train/images/molecule_205.png new file mode 100644 index 0000000000000000000000000000000000000000..3b9c824969be95c08e53f96d221bd686ae1a7eed --- /dev/null +++ b/train/images/molecule_205.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:33c96ae597f0e3cc3554835f095c6affe6af9adda63cccf5bf0be263592a8532 +size 9039 diff --git a/train/images/molecule_206.png b/train/images/molecule_206.png new file mode 100644 index 0000000000000000000000000000000000000000..0cbb0ace327378a650cce5cd069637e5ee151a46 --- /dev/null +++ b/train/images/molecule_206.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b80f36fb0a588d1d7dc998cda345a79728b5b92bd6ed307eea269259f73b56ef +size 10823 diff --git a/train/images/molecule_207.png b/train/images/molecule_207.png new file mode 100644 index 0000000000000000000000000000000000000000..742e914a49a654da64cf1229ec53efa5afd66d0e --- /dev/null +++ b/train/images/molecule_207.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:334dc135928c836fad262e43be60a91751c88a64c5f52e73c17ebae63d102843 +size 12094 diff --git a/train/images/molecule_208.png b/train/images/molecule_208.png new file mode 100644 index 0000000000000000000000000000000000000000..ca574635a2850ff5b440d2d354f1cd63e57d47a9 --- /dev/null +++ b/train/images/molecule_208.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5f5760c449118c3463d69d9a97933915e00382b9500b40cd1f13c984223c859 +size 9930 diff --git a/train/images/molecule_209.png b/train/images/molecule_209.png new file mode 100644 index 0000000000000000000000000000000000000000..263ae27fb34f2f6532a9c7a3b9982cf1b7159bd5 --- /dev/null +++ b/train/images/molecule_209.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:82f4c4616feb38a40d2d5f040327fe93a55f46cf79d216bd8909407c4ab5173b +size 12507 diff --git a/train/images/molecule_21.png b/train/images/molecule_21.png new file mode 100644 index 0000000000000000000000000000000000000000..030bbd7274532d052f313812bdc403970d7d38c4 --- /dev/null +++ b/train/images/molecule_21.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:94380dd296b3a19e32a12c7333bf053e20d2a1582393f7b8fd42205958529849 +size 10539 diff --git a/train/images/molecule_210.png b/train/images/molecule_210.png new file mode 100644 index 0000000000000000000000000000000000000000..c7e2671c267e0b51bb35555b5682e6b80fb4fc82 --- /dev/null +++ b/train/images/molecule_210.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a2d965b427e40fb912bf829d610c5aadeb33cca1608849aedaf9564c872d7d6 +size 11061 diff --git a/train/images/molecule_211.png b/train/images/molecule_211.png new file mode 100644 index 0000000000000000000000000000000000000000..31400a1d3dad74ad31f640ae9978f4913e6d60e0 --- /dev/null +++ b/train/images/molecule_211.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:586cdf20038c58cbe8e15ce66baeafec5755ac96c2e7810e82be28f0fabd38e7 +size 9237 diff --git a/train/images/molecule_212.png b/train/images/molecule_212.png new file mode 100644 index 0000000000000000000000000000000000000000..efaceceb68e1a8fa780f654cbafc197075e06b07 --- /dev/null +++ b/train/images/molecule_212.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76f7324c0dd1f12a7c23088b64c4277705f27bb4ce653173e47f11a9d96c2db7 +size 10818 diff --git a/train/images/molecule_213.png b/train/images/molecule_213.png new file mode 100644 index 0000000000000000000000000000000000000000..c96c97d158c5dc28000c74a40915bf296e57d9ba --- /dev/null +++ b/train/images/molecule_213.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:003b440921fb848ebef2f4daf65834fbe90df6e77dd8385fbef2b28edf210918 +size 12508 diff --git a/train/images/molecule_214.png b/train/images/molecule_214.png new file mode 100644 index 0000000000000000000000000000000000000000..02fb6476d29f92e4edb4812efd9e4962b64022e7 --- /dev/null +++ b/train/images/molecule_214.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ad7693af03f5d0fad1abecea23b7e43fd3e405f089d63c7d42fe74b993885027 +size 12529 diff --git a/train/images/molecule_215.png b/train/images/molecule_215.png new file mode 100644 index 0000000000000000000000000000000000000000..d67971a83283cfd067cef0bd60eb5a63ec1787ce --- /dev/null +++ b/train/images/molecule_215.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31a8dd746779a325dca76dbaad35ffe3bc98e27a2e1b53ffc15a0f6f33492002 +size 8010 diff --git a/train/images/molecule_216.png b/train/images/molecule_216.png new file mode 100644 index 0000000000000000000000000000000000000000..d1f0f9f4c5afbe1429b4185c7c111b69be2a4199 --- /dev/null +++ b/train/images/molecule_216.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d03213e3bc0517229f3f5b54cf25ff897bc86577c9f9ae6102d3fdac9d63078 +size 9858 diff --git a/train/images/molecule_217.png b/train/images/molecule_217.png new file mode 100644 index 0000000000000000000000000000000000000000..8877c43c54e7583787ea9204822988f5f6dbb3be --- /dev/null +++ b/train/images/molecule_217.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e2857cbe10d1bd726648cf990ac5bdf8606b86360504ecc82c3f8981e547597a +size 12520 diff --git a/train/images/molecule_218.png b/train/images/molecule_218.png new file mode 100644 index 0000000000000000000000000000000000000000..86dacb121ddbc2246fc90c545442b886da858895 --- /dev/null +++ b/train/images/molecule_218.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c97536a0356399bdb41950d194677f6987e143201ef71808d0613436a3cadac7 +size 11813 diff --git a/train/images/molecule_219.png b/train/images/molecule_219.png new file mode 100644 index 0000000000000000000000000000000000000000..2a7485a6fbd40c1960f935b993125689bb008209 --- /dev/null +++ b/train/images/molecule_219.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b92696d19276476da86f8e069e45c7743bcdb7a7c49c8dc876971168b0116b9 +size 8936 diff --git a/train/images/molecule_22.png b/train/images/molecule_22.png new file mode 100644 index 0000000000000000000000000000000000000000..8ad2c76953644eca899e5731c117ce7ca8bea49c --- /dev/null +++ b/train/images/molecule_22.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b5ca3a3416ea602fa67a62089a1e1e1ce2ff0887cc99821da272058610c5c9b +size 9300 diff --git a/train/images/molecule_220.png b/train/images/molecule_220.png new file mode 100644 index 0000000000000000000000000000000000000000..010d153fcfd429675fac20127ef500eee0544fd5 --- /dev/null +++ b/train/images/molecule_220.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9410daba5dcee1e9fc58440da78c641c7317b5eb9b929c2eb17f86cf9294820 +size 10219 diff --git a/train/images/molecule_221.png b/train/images/molecule_221.png new file mode 100644 index 0000000000000000000000000000000000000000..6aa04762a8529c89804772a40de3172c98b00a27 --- /dev/null +++ b/train/images/molecule_221.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a3d57462dea113006cdc010db3db64a88b462a533a432e887e49caf514b41271 +size 11521 diff --git a/train/images/molecule_222.png b/train/images/molecule_222.png new file mode 100644 index 0000000000000000000000000000000000000000..68ae0ea18d22098d951d1241c74010ec5534d991 --- /dev/null +++ b/train/images/molecule_222.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ebc15c2acf07463208cf3601e9353552320a9a73557363b8d9991cf05160464 +size 11697 diff --git a/train/images/molecule_223.png b/train/images/molecule_223.png new file mode 100644 index 0000000000000000000000000000000000000000..006fd9d7f6a23346e0a1b8f5f73c302b6ffd80e3 --- /dev/null +++ b/train/images/molecule_223.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b2bcc511c54705429026524c9a8b6d288c0104d3e78f063c8a039c8da734da72 +size 9745 diff --git a/train/images/molecule_224.png b/train/images/molecule_224.png new file mode 100644 index 0000000000000000000000000000000000000000..8364a51fd1d973120cdcbc8042cae4d027feb070 --- /dev/null +++ b/train/images/molecule_224.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2f942a652952fe081b82d1abe7f7a3e323e189bdd830e455b943a101d1ce9448 +size 11892 diff --git a/train/images/molecule_225.png b/train/images/molecule_225.png new file mode 100644 index 0000000000000000000000000000000000000000..62463ef84991636d40a6f22b4b0c7a58e47298e2 --- /dev/null +++ b/train/images/molecule_225.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a7f50bb1b30ecd7f3e776b06dc1aa1cb3cac2301c4d3b66242a2fc3164d3b022 +size 12118 diff --git a/train/images/molecule_226.png b/train/images/molecule_226.png new file mode 100644 index 0000000000000000000000000000000000000000..d0a22150bba8d5f413cd18a29cb49d1783cae11b --- /dev/null +++ b/train/images/molecule_226.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7de6406cad1315720dfc70bb2a3ceacc3572100e65fd5284925f9b9cde49bb60 +size 12561 diff --git a/train/images/molecule_227.png b/train/images/molecule_227.png new file mode 100644 index 0000000000000000000000000000000000000000..6b976233fa4eaf546aff3ca59b0d07ba791defbe --- /dev/null +++ b/train/images/molecule_227.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4dacf279d0ce2971e2d142d4bbdebd7537104b1847e8378b96ce130b6a231a46 +size 9514 diff --git a/train/images/molecule_228.png b/train/images/molecule_228.png new file mode 100644 index 0000000000000000000000000000000000000000..9fd7ce261ce9dadd89c61350909a5f455b5dd996 --- /dev/null +++ b/train/images/molecule_228.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d62dc0a649aae0b7de4516c8a5e362007c46410c73d9567938a2a689e5c43fca +size 11608 diff --git a/train/images/molecule_229.png b/train/images/molecule_229.png new file mode 100644 index 0000000000000000000000000000000000000000..a8d73c8ddef9dc1e4574cdbe57a85402ad83ac55 --- /dev/null +++ b/train/images/molecule_229.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:752510f5118f320133dd1268213a17d4d14c66ab1eacff4897c9ba6611fede19 +size 11481 diff --git a/train/images/molecule_23.png b/train/images/molecule_23.png new file mode 100644 index 0000000000000000000000000000000000000000..77eed8911d3e69b334fde9c18ec4793b05f95104 --- /dev/null +++ b/train/images/molecule_23.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bf3b21aab5de56a21f72e2a7e04e311623b27c62029e234d982daa16d3854b28 +size 12392 diff --git a/train/images/molecule_230.png b/train/images/molecule_230.png new file mode 100644 index 0000000000000000000000000000000000000000..6a45ba9fd29edb383608b1d1723e0b6a45ec65c1 --- /dev/null +++ b/train/images/molecule_230.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:768600c25179cfad9bbaae6ca255d1e2b014e3d77640e4a0143b52935dc816fa +size 13135 diff --git a/train/images/molecule_231.png b/train/images/molecule_231.png new file mode 100644 index 0000000000000000000000000000000000000000..d0290ecdb29a120882fb161f0fb9a22c90d3baf2 --- /dev/null +++ b/train/images/molecule_231.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b8826bf73352239f7f529a4714e90a50055a687b4a11dc447a1d83552ab660b1 +size 13767 diff --git a/train/images/molecule_232.png b/train/images/molecule_232.png new file mode 100644 index 0000000000000000000000000000000000000000..6f978ff36c2c503892bb42584ecaa40664e6eca8 --- /dev/null +++ b/train/images/molecule_232.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3c1192b5fde5da387b0f8a964e138233a7efe50d8c3e6f95b6cbc2b177878ee2 +size 11372 diff --git a/train/images/molecule_233.png b/train/images/molecule_233.png new file mode 100644 index 0000000000000000000000000000000000000000..d71fd8cbf3d1604e0115df69f7be606510b8279f --- /dev/null +++ b/train/images/molecule_233.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b63c144369825dd3c30d97fb4142f09316acfb1c1f05da640ffec2cb58596b00 +size 8613 diff --git a/train/images/molecule_234.png b/train/images/molecule_234.png new file mode 100644 index 0000000000000000000000000000000000000000..cc94f17d9c4a6ef9dc198bf5a7786ff17e2efbf6 --- /dev/null +++ b/train/images/molecule_234.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31762dfaaa0be409a72413d8285a5f458c1dd39eb5e1c94979f21fba11b8f076 +size 9033 diff --git a/train/images/molecule_235.png b/train/images/molecule_235.png new file mode 100644 index 0000000000000000000000000000000000000000..1ced90d11348e4178a4697e5cc034b0d80fab5f5 --- /dev/null +++ b/train/images/molecule_235.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04c9808d695d91610073dfe4de307de9dd8b149b6e7d94c47ced401d1820ebb9 +size 14239 diff --git a/train/images/molecule_236.png b/train/images/molecule_236.png new file mode 100644 index 0000000000000000000000000000000000000000..09fe58ad9c20f090c0ed6d306679e4e33829c5b5 --- /dev/null +++ b/train/images/molecule_236.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa5908918f495522d23b8c541b1c0be377f3d0ed0d19f33f4eb2ca6e73e6e42c +size 10578 diff --git a/train/images/molecule_237.png b/train/images/molecule_237.png new file mode 100644 index 0000000000000000000000000000000000000000..09a6d28bc1889acd3c53c969de2a9a262bb36481 --- /dev/null +++ b/train/images/molecule_237.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:090a88533d742de72c82c9fecee07730531a722fad25c87b87c3d9dbfa9e86b8 +size 9517 diff --git a/train/images/molecule_238.png b/train/images/molecule_238.png new file mode 100644 index 0000000000000000000000000000000000000000..13fd0193c1da2e966c763aa28536030bfd35aa17 --- /dev/null +++ b/train/images/molecule_238.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:87adaa9dcc1d6ca102545e73d2131d86b37e8f31679258652efb027030d4c0a7 +size 11434 diff --git a/train/images/molecule_239.png b/train/images/molecule_239.png new file mode 100644 index 0000000000000000000000000000000000000000..121ff659b08c96f9f16457d79b43f98a3c8f25ab --- /dev/null +++ b/train/images/molecule_239.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5914fac912f4e0fa136d6810ff946312ce01bb24a4ad337f3e8a7ad1370c20c +size 8061 diff --git a/train/images/molecule_24.png b/train/images/molecule_24.png new file mode 100644 index 0000000000000000000000000000000000000000..5402c5146271d236252907a3458574272007249e --- /dev/null +++ b/train/images/molecule_24.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2e320c3c7522694a6ad50bb1134c328e34a93d453d178011e1e68a0c83c5f6a1 +size 11373 diff --git a/train/images/molecule_240.png b/train/images/molecule_240.png new file mode 100644 index 0000000000000000000000000000000000000000..1a0459d133e29f57b823385452fa4e7c8bb15d6a --- /dev/null +++ b/train/images/molecule_240.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6beb0d8ecf20f9493b1ee50533dc8c86fbea43dd71ee2f3bfe72ae521e2e1cf7 +size 8421 diff --git a/train/images/molecule_241.png b/train/images/molecule_241.png new file mode 100644 index 0000000000000000000000000000000000000000..96ede7662080beebb481063c2cb2c3076c05c197 --- /dev/null +++ b/train/images/molecule_241.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b80ff5ad8faa4051f5ab8b7a8e27dbf6e4545f1a0f98289efd82d14f0d5b335 +size 12366 diff --git a/train/images/molecule_242.png b/train/images/molecule_242.png new file mode 100644 index 0000000000000000000000000000000000000000..88332c8bd5e4f6a66739b69ba8d868942f79f207 --- /dev/null +++ b/train/images/molecule_242.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:15cc1b16b6b232d52846a5f72f4053ac56b2f8ce82c10efb708be5742b85f576 +size 8758 diff --git a/train/images/molecule_243.png b/train/images/molecule_243.png new file mode 100644 index 0000000000000000000000000000000000000000..b6f1d44b3b50e87396ed00aed4654f58da6310f4 --- /dev/null +++ b/train/images/molecule_243.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d82bb1088fa9e7319bdd9703d537df65c70d90cdc3368a3b992979fe292109df +size 7963 diff --git a/train/images/molecule_244.png b/train/images/molecule_244.png new file mode 100644 index 0000000000000000000000000000000000000000..b2a33a9350d35422643d6c6d7d9ce02781c8a3ce --- /dev/null +++ b/train/images/molecule_244.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:be62d4adec0e2623881e2440f02bb8a819f0c222916fe2eefd75369d97beb023 +size 14221 diff --git a/train/images/molecule_245.png b/train/images/molecule_245.png new file mode 100644 index 0000000000000000000000000000000000000000..65535210a5f8b85a2b366b5de88c3f16eecfb647 --- /dev/null +++ b/train/images/molecule_245.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6d265036285319223ef745245789d34b2ad5b20e7d9d8fd006d8bf14ab2c9e6 +size 9508 diff --git a/train/images/molecule_246.png b/train/images/molecule_246.png new file mode 100644 index 0000000000000000000000000000000000000000..8d26df35c50d1808c0cc9b17ad5f20f3ea29cd90 --- /dev/null +++ b/train/images/molecule_246.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b0cb42cbe9b59d689a51637f30e253446bae46551b96766566d3ee686df7db5 +size 10611 diff --git a/train/images/molecule_247.png b/train/images/molecule_247.png new file mode 100644 index 0000000000000000000000000000000000000000..41b606d2f5abfc5856d15d9ddecce03f9feea306 --- /dev/null +++ b/train/images/molecule_247.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8316a870ff165e6a725e88b2addccc89ec2f4e37d15b19ec8f1caebf72a1c4da +size 13415 diff --git a/train/images/molecule_248.png b/train/images/molecule_248.png new file mode 100644 index 0000000000000000000000000000000000000000..3bc43ce139c76fb86b347a88620c4fd404c9d135 --- /dev/null +++ b/train/images/molecule_248.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:43aacc0d1beb81cfdf941135ad6f651bacca52de7cd9d5ac66f8c28126e0ee86 +size 12345 diff --git a/train/images/molecule_249.png b/train/images/molecule_249.png new file mode 100644 index 0000000000000000000000000000000000000000..ba382806c8c51a8cf72260235b28881e6eeff2ba --- /dev/null +++ b/train/images/molecule_249.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:efd0b7d362970c3210d9e8cd36558b88e6e6165cce273328ebff25d6f9d056d5 +size 10263 diff --git a/train/images/molecule_25.png b/train/images/molecule_25.png new file mode 100644 index 0000000000000000000000000000000000000000..bbecf59b30863c0cd9b18280ecdcb386e2131506 --- /dev/null +++ b/train/images/molecule_25.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91ec02d1437fb1b4d80176a002a7ab9670fec8b9c9fcb3b6f637617bfd622246 +size 9416 diff --git a/train/images/molecule_250.png b/train/images/molecule_250.png new file mode 100644 index 0000000000000000000000000000000000000000..7f7c2f4d4b23401364338731667e2dc6790ccc31 --- /dev/null +++ b/train/images/molecule_250.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d1709e14b663150b5f3eab1a253ed179daa226f9586c98eb55c8c440105016cf +size 12415 diff --git a/train/images/molecule_251.png b/train/images/molecule_251.png new file mode 100644 index 0000000000000000000000000000000000000000..ab8ee2dc35361f9c66c17a79281efaa796452edf --- /dev/null +++ b/train/images/molecule_251.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:436fa2fe4970f36bb732c4186b791c42ce97d598d219bf749864e00dc982ad02 +size 10471 diff --git a/train/images/molecule_252.png b/train/images/molecule_252.png new file mode 100644 index 0000000000000000000000000000000000000000..c84de298e0cff71ae090573dae5ec494482e5e16 --- /dev/null +++ b/train/images/molecule_252.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ab1b584ffb6dee4f95064955269a1a3716cedca64ed635048a725c289401ba4e +size 11765 diff --git a/train/images/molecule_253.png b/train/images/molecule_253.png new file mode 100644 index 0000000000000000000000000000000000000000..8c062789470352c2fd59f92e20a5010867a9e059 --- /dev/null +++ b/train/images/molecule_253.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:07e623990b964511b6cf399f23f7b0c9a7b6a85da1f38d6ab44d95ce2bb79020 +size 17418 diff --git a/train/images/molecule_254.png b/train/images/molecule_254.png new file mode 100644 index 0000000000000000000000000000000000000000..6d5ac2717e56ddbc650fe0540eb0f0b069dfda06 --- /dev/null +++ b/train/images/molecule_254.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1f57a30cddcb06fcee6fde8c35f57425f45aaf8a18dd9923258df415c5b9059 +size 11637 diff --git a/train/images/molecule_255.png b/train/images/molecule_255.png new file mode 100644 index 0000000000000000000000000000000000000000..4ec50acf46112ff8a98a8069a6f947cac340f874 --- /dev/null +++ b/train/images/molecule_255.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6bb5724831e54910ae09235138187f8f717d5e465998a5b8691f4d6eb49c1b6 +size 8976 diff --git a/train/images/molecule_256.png b/train/images/molecule_256.png new file mode 100644 index 0000000000000000000000000000000000000000..194295d333fb32d957c93b8288696c2c5681f659 --- /dev/null +++ b/train/images/molecule_256.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3015e9d4382bd2fdb1bd8904e8a7f398d1be665c1043341693dcce4cf20aec03 +size 9319 diff --git a/train/images/molecule_257.png b/train/images/molecule_257.png new file mode 100644 index 0000000000000000000000000000000000000000..b07ac866037eb8038a71e7c836489ab914046103 --- /dev/null +++ b/train/images/molecule_257.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2da4a2c5287eaa83d18d7b0fe4c484e08aad246c9ced26e40be836fe9e84ae17 +size 12829 diff --git a/train/images/molecule_258.png b/train/images/molecule_258.png new file mode 100644 index 0000000000000000000000000000000000000000..c2bbcfea616628b9262e9a106d96c3cf5611b63a --- /dev/null +++ b/train/images/molecule_258.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e84ef0125274fb808628d696bb907cbed61cb626cd008f18c203198e590aab2 +size 13101 diff --git a/train/images/molecule_259.png b/train/images/molecule_259.png new file mode 100644 index 0000000000000000000000000000000000000000..d8fb99eb1deb8f265c8798d09201c79b8d44ca72 --- /dev/null +++ b/train/images/molecule_259.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1917c02415a9a0ba72e30237cfed2b0a95f849286053dedca8373d30e081204e +size 13119 diff --git a/train/images/molecule_26.png b/train/images/molecule_26.png new file mode 100644 index 0000000000000000000000000000000000000000..596a4913640db58180340f765a72aace01644edd --- /dev/null +++ b/train/images/molecule_26.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:575d9845061dc9cf9bb0733b44a0eba61f5b8d8ba33eef8a597fa27a1f0783a9 +size 8588 diff --git a/train/images/molecule_260.png b/train/images/molecule_260.png new file mode 100644 index 0000000000000000000000000000000000000000..dfbfbe6e488b8e25f89dea86de444e1d4c417fb1 --- /dev/null +++ b/train/images/molecule_260.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73f518da44812118b794a50c80b16c2fb0f6db2997f3d3a8270ed55729d7d69a +size 9795 diff --git a/train/images/molecule_261.png b/train/images/molecule_261.png new file mode 100644 index 0000000000000000000000000000000000000000..9122d749f3baf661a0c8deea1f445c7efc6a0d9b --- /dev/null +++ b/train/images/molecule_261.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b5e211f84eee41660c4d2a0086e72d8e2b2c14d44922501c182b729cf34ce053 +size 13647 diff --git a/train/images/molecule_262.png b/train/images/molecule_262.png new file mode 100644 index 0000000000000000000000000000000000000000..b917d2179c50d8b8850c971667f8d20ec8f0fbde --- /dev/null +++ b/train/images/molecule_262.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:256a274d2384a43e0fd93b2e67c413c4fca41b65817f06b83025aa2e61490837 +size 13432 diff --git a/train/images/molecule_263.png b/train/images/molecule_263.png new file mode 100644 index 0000000000000000000000000000000000000000..90531770bcba724906cfcc1542b2b2c5ae27912e --- /dev/null +++ b/train/images/molecule_263.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:53d553003708b2219287dbb681db3beb98f4d47599664dd3e4133e14142d35bd +size 13922 diff --git a/train/images/molecule_264.png b/train/images/molecule_264.png new file mode 100644 index 0000000000000000000000000000000000000000..0d318b06ae3c2ad3c3b3bbbd66e55b9fbeed6bba --- /dev/null +++ b/train/images/molecule_264.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d1fa78a92a8b8897418cc0783134386419e2e50dd7c55ddc80cd1e07d726238 +size 10596 diff --git a/train/images/molecule_265.png b/train/images/molecule_265.png new file mode 100644 index 0000000000000000000000000000000000000000..c97a75a87dd7e10b0e006d789c8ed4fae6a65d6f --- /dev/null +++ b/train/images/molecule_265.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19faadf5e2ffa15145cec6cb3ddb5804e3a231b521e17447165adaa9cafaf48d +size 9573 diff --git a/train/images/molecule_266.png b/train/images/molecule_266.png new file mode 100644 index 0000000000000000000000000000000000000000..8b4da5efd87469129b0cc0a8509448e53188d3d1 --- /dev/null +++ b/train/images/molecule_266.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b5d2620bb0e751ac871dd7f89f6598bbf8a8e08687cb60363b45608f0881fd1f +size 9181 diff --git a/train/images/molecule_267.png b/train/images/molecule_267.png new file mode 100644 index 0000000000000000000000000000000000000000..22293ce6433fe2b3885f00f90058f08075b9aa38 --- /dev/null +++ b/train/images/molecule_267.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1ebe449da98e09d2642c15de8dbdcf7886bef680d80f07bf1c271ab8f1a8c596 +size 10891 diff --git a/train/images/molecule_268.png b/train/images/molecule_268.png new file mode 100644 index 0000000000000000000000000000000000000000..a3f39a4576d0943601c843c464c190b6200ead37 --- /dev/null +++ b/train/images/molecule_268.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4bc2e7aa3ed747ee23d3f91c0138b58dca253645f1309c79c5227a55e54b471b +size 10076 diff --git a/train/images/molecule_269.png b/train/images/molecule_269.png new file mode 100644 index 0000000000000000000000000000000000000000..3c8440d210ecc32cb4083d82088f48aba8d5dedd --- /dev/null +++ b/train/images/molecule_269.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d9a474f908712d1f920a1a408aff0e8bdb7a46405283be52a1e0ce56aecdda1 +size 8901 diff --git a/train/images/molecule_27.png b/train/images/molecule_27.png new file mode 100644 index 0000000000000000000000000000000000000000..872ac89fd9d2f1aa6909905b11da7f135633b5c4 --- /dev/null +++ b/train/images/molecule_27.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b2b1c2db2ec0ca809e41587e1bba787037e2c1819ee00ca131f80b9a09489087 +size 8292 diff --git a/train/images/molecule_270.png b/train/images/molecule_270.png new file mode 100644 index 0000000000000000000000000000000000000000..7317ff6a59151d76bbe01d3db2c66c6707a96f5c --- /dev/null +++ b/train/images/molecule_270.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7faf0134fc825ce9ccc94a79484ebb7bd9047458b6c19f5752e49d8d74df3dfb +size 13577 diff --git a/train/images/molecule_271.png b/train/images/molecule_271.png new file mode 100644 index 0000000000000000000000000000000000000000..5c522b8a21e70501e814c3adfdd96b277dd20387 --- /dev/null +++ b/train/images/molecule_271.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c1e8eca291bf2d8169e64625fe63c9331a523a92ee2638ea1c5eb9d72382f51 +size 12078 diff --git a/train/images/molecule_272.png b/train/images/molecule_272.png new file mode 100644 index 0000000000000000000000000000000000000000..53ee5dcfdf6fa709db3a029c475d37ddea02aa57 --- /dev/null +++ b/train/images/molecule_272.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ee02d47b35b773e2571dd3ba7f6d8a7bc71356ff662c5a1bd27a8aaf40de392e +size 8516 diff --git a/train/images/molecule_273.png b/train/images/molecule_273.png new file mode 100644 index 0000000000000000000000000000000000000000..006fd9d7f6a23346e0a1b8f5f73c302b6ffd80e3 --- /dev/null +++ b/train/images/molecule_273.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b2bcc511c54705429026524c9a8b6d288c0104d3e78f063c8a039c8da734da72 +size 9745 diff --git a/train/images/molecule_274.png b/train/images/molecule_274.png new file mode 100644 index 0000000000000000000000000000000000000000..f456ad7a0fefa822ad13bed13b709e4e7d5fe784 --- /dev/null +++ b/train/images/molecule_274.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ca0ba12cb454a0aecaaaa00ba6e5d01ca7bbd1b93cdcfc55155a41368ed5d14 +size 8570 diff --git a/train/images/molecule_275.png b/train/images/molecule_275.png new file mode 100644 index 0000000000000000000000000000000000000000..a3f9c943d92f79ebaa72ff2e55fec75ac89d2650 --- /dev/null +++ b/train/images/molecule_275.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:896596c89cf4decf01023452527e687b0c876d2123c1ce1308269f2e686ce445 +size 8135 diff --git a/train/images/molecule_276.png b/train/images/molecule_276.png new file mode 100644 index 0000000000000000000000000000000000000000..0beb971c1a1fba7ea0dc0556560f8d76aafdf859 --- /dev/null +++ b/train/images/molecule_276.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf2be0cf08136523a09936ee2e050a1148f5d52299416101235e63ce9dec45b2 +size 11978 diff --git a/train/images/molecule_277.png b/train/images/molecule_277.png new file mode 100644 index 0000000000000000000000000000000000000000..3394202c550e44264fb8a5fc70ecb5fcf174c7ba --- /dev/null +++ b/train/images/molecule_277.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3a2e0ec4e46251008c6c95575f8874181bc8792e8a72dba8897f951eee47095 +size 11818 diff --git a/train/images/molecule_278.png b/train/images/molecule_278.png new file mode 100644 index 0000000000000000000000000000000000000000..6e6b9077e59cf9092b2d172a00227a41b2713cd1 --- /dev/null +++ b/train/images/molecule_278.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:02b452979a7787c80043368a2ea10519c05eac96cf9c45d24aca2d9399377aa8 +size 12607 diff --git a/train/images/molecule_279.png b/train/images/molecule_279.png new file mode 100644 index 0000000000000000000000000000000000000000..22abd6ba2739c215341b189262bb95fcb5a4fb97 --- /dev/null +++ b/train/images/molecule_279.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f1e640011705b83295f3f4b252b2b61c82524b454eb8a3c555f43070aaae3a9a +size 11161 diff --git a/train/images/molecule_28.png b/train/images/molecule_28.png new file mode 100644 index 0000000000000000000000000000000000000000..ab02f814cd81a36b0edd77578b09d50cf35a8d49 --- /dev/null +++ b/train/images/molecule_28.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9d5cbed959478b130ab4db4eba7af970f9953aa3d400658e3518470a9a4b5c7e +size 9242 diff --git a/train/images/molecule_280.png b/train/images/molecule_280.png new file mode 100644 index 0000000000000000000000000000000000000000..f684c3780717b77fbe6f2dc9a128177e160d9e59 --- /dev/null +++ b/train/images/molecule_280.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d53bd18e57db64be9ee629a24c71dbf818a6bbebee982f6ebca7ca6d186e280 +size 11815 diff --git a/train/images/molecule_281.png b/train/images/molecule_281.png new file mode 100644 index 0000000000000000000000000000000000000000..65535210a5f8b85a2b366b5de88c3f16eecfb647 --- /dev/null +++ b/train/images/molecule_281.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b6d265036285319223ef745245789d34b2ad5b20e7d9d8fd006d8bf14ab2c9e6 +size 9508 diff --git a/train/images/molecule_282.png b/train/images/molecule_282.png new file mode 100644 index 0000000000000000000000000000000000000000..09cb862d9ff8bf2bf6e63fc34934c77a1b48bd3e --- /dev/null +++ b/train/images/molecule_282.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:42c06ff2efbc62267035922a747ba20216a5beea0f79ce346e61ba5be950b027 +size 10836 diff --git a/train/images/molecule_283.png b/train/images/molecule_283.png new file mode 100644 index 0000000000000000000000000000000000000000..44bbe3b5c5c357bb0b2a8e44c1757e925e6e4418 --- /dev/null +++ b/train/images/molecule_283.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:604beb1f2672f1212da3ebd26f92492ce6c6e115ee204604ba873eb9d3a72412 +size 11938 diff --git a/train/images/molecule_284.png b/train/images/molecule_284.png new file mode 100644 index 0000000000000000000000000000000000000000..cc717fa043c4382550769d6a4131299dd44f7f0e --- /dev/null +++ b/train/images/molecule_284.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:21e0482f429220100ce5d04fdc0ff94ba162d43b1388616e336aba779a276a9f +size 9557 diff --git a/train/images/molecule_285.png b/train/images/molecule_285.png new file mode 100644 index 0000000000000000000000000000000000000000..7503023fa7cda1f58602bfc6a84e229afb34de8a --- /dev/null +++ b/train/images/molecule_285.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:24d99801b3369224fcf6f644aadf606013c7fd1a2c189e285634c95d5184e308 +size 11345 diff --git a/train/images/molecule_286.png b/train/images/molecule_286.png new file mode 100644 index 0000000000000000000000000000000000000000..9c9e61d81407f0c8f99a1fd92d7fe9d042d678c7 --- /dev/null +++ b/train/images/molecule_286.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:289201adaa2a40d94dbfb883295881d1624a9938da0032137203f6a8d3cd61ef +size 13503 diff --git a/train/images/molecule_287.png b/train/images/molecule_287.png new file mode 100644 index 0000000000000000000000000000000000000000..ca5ea064e84078b0769e8eac31deda9155259864 --- /dev/null +++ b/train/images/molecule_287.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d8a9b7fb1288d0d1f6461f93fdbfb0c92139f93db5f21a9fe116741a63950b73 +size 9512 diff --git a/train/images/molecule_288.png b/train/images/molecule_288.png new file mode 100644 index 0000000000000000000000000000000000000000..19b39f12f56659b137ee71701c58ffd7b46bde5a --- /dev/null +++ b/train/images/molecule_288.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a6df110770242bfee184a5b85b66eafef0b57ca780a9ab23e3bd9f6611f707f3 +size 8341 diff --git a/train/images/molecule_289.png b/train/images/molecule_289.png new file mode 100644 index 0000000000000000000000000000000000000000..b3d84ff876dd95f531ec8003afb0ba99d31c08e8 --- /dev/null +++ b/train/images/molecule_289.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:679cd3c2e13b45bbecdf5da84b2cd0dceac0bd83f3d188d141ac68d5a5786d10 +size 10343 diff --git a/train/images/molecule_29.png b/train/images/molecule_29.png new file mode 100644 index 0000000000000000000000000000000000000000..1cdbfc1c7c224bca657456df0679f5370d07b3fa --- /dev/null +++ b/train/images/molecule_29.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d8a8bf7451fb03433c89549761d0f7dde2d37e6c4d1f1d6411a36cc15f1d95a +size 10379 diff --git a/train/images/molecule_290.png b/train/images/molecule_290.png new file mode 100644 index 0000000000000000000000000000000000000000..612022949fa1d06cc7562cf6d9064d68899b65c5 --- /dev/null +++ b/train/images/molecule_290.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e97e31e744e7588a966a2c17965e7a27396a48e9d2431e5a8a20957ddbcedce8 +size 9408 diff --git a/train/images/molecule_291.png b/train/images/molecule_291.png new file mode 100644 index 0000000000000000000000000000000000000000..af31835d89a0716fdeaf2944b8258f28c203b63d --- /dev/null +++ b/train/images/molecule_291.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aca60ef9d0d76461e4b213aa07edbf7e3edf34de0ac4cd35ecb38e626c564e2c +size 14398 diff --git a/train/images/molecule_292.png b/train/images/molecule_292.png new file mode 100644 index 0000000000000000000000000000000000000000..074ba4f8bb97850f050ba6515e1a1d7d4a23e8a3 --- /dev/null +++ b/train/images/molecule_292.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:33fdb5bb3f38d4181e392ee6fbd25c75d2ffa1a8b3db7bda4acbf7071d9d0ef4 +size 11917 diff --git a/train/images/molecule_293.png b/train/images/molecule_293.png new file mode 100644 index 0000000000000000000000000000000000000000..b8649729e6fbd8a8d8e27a50538db0a9cfc410a0 --- /dev/null +++ b/train/images/molecule_293.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afb3e7d2f71a46fe91faa980e6c2f0ef8423ca5bb4261f836f4953c810c0e690 +size 13768 diff --git a/train/images/molecule_294.png b/train/images/molecule_294.png new file mode 100644 index 0000000000000000000000000000000000000000..74bc9c96043ef41852d75632eb7e1d434e0d6b0f --- /dev/null +++ b/train/images/molecule_294.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:21e5b68eb851547c77a253b285d1c8f6cd37095aff42940ba1bcb4f866a10ba6 +size 11910 diff --git a/train/images/molecule_295.png b/train/images/molecule_295.png new file mode 100644 index 0000000000000000000000000000000000000000..cd6899fef81b8d5dadb4b1030ec090575878698f --- /dev/null +++ b/train/images/molecule_295.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:66a921423b35c96de96c80d3608bc1f53b9997ffad69473fab2750f81711b6b2 +size 11158 diff --git a/train/images/molecule_296.png b/train/images/molecule_296.png new file mode 100644 index 0000000000000000000000000000000000000000..5a7f3afeaaa394e886dc33156f8eae200e81578a --- /dev/null +++ b/train/images/molecule_296.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:814639df081c5cfbcd38fd522d562f07486515acb943183b359759fd3c0fbed7 +size 9221 diff --git a/train/images/molecule_297.png b/train/images/molecule_297.png new file mode 100644 index 0000000000000000000000000000000000000000..f1e0d0bbb604dad57d9bb96bce08ed61e21a68a8 --- /dev/null +++ b/train/images/molecule_297.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54c27b221b99271177dd248f8c88818458e451b0c3fcac7b65278c5864838be8 +size 8921 diff --git a/train/images/molecule_298.png b/train/images/molecule_298.png new file mode 100644 index 0000000000000000000000000000000000000000..53ee5dcfdf6fa709db3a029c475d37ddea02aa57 --- /dev/null +++ b/train/images/molecule_298.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ee02d47b35b773e2571dd3ba7f6d8a7bc71356ff662c5a1bd27a8aaf40de392e +size 8516 diff --git a/train/images/molecule_299.png b/train/images/molecule_299.png new file mode 100644 index 0000000000000000000000000000000000000000..6c682de3813f4e4df6cafc4665f749088a7e8747 --- /dev/null +++ b/train/images/molecule_299.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e42d328737b5137ca3707e912ab0072c8ae461dd1d686b252bd5fa7377cbe34c +size 8675 diff --git a/train/images/molecule_3.png b/train/images/molecule_3.png new file mode 100644 index 0000000000000000000000000000000000000000..7d3f4ebd3f7e6a200d4bcd5e2c04755b8859a008 --- /dev/null +++ b/train/images/molecule_3.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5ab0a763638471d59f42e8174b4f251ae51a816658770f6649fe206952bc5c2 +size 12059 diff --git a/train/images/molecule_30.png b/train/images/molecule_30.png new file mode 100644 index 0000000000000000000000000000000000000000..f8f5a86d7e95af30dfa5da413658449400c1846a --- /dev/null +++ b/train/images/molecule_30.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a458a2b639bd4d1690537f03ed91d5d3e436d382099993e7b746699e49572494 +size 11214 diff --git a/train/images/molecule_300.png b/train/images/molecule_300.png new file mode 100644 index 0000000000000000000000000000000000000000..cd487faa6cb9e779452247e55919c56b0de755e4 --- /dev/null +++ b/train/images/molecule_300.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e07da1a7a5d97d0a140fc7e9caedb4a0056254a611c8ff1b91efce6fc9c66d0 +size 8771 diff --git a/train/images/molecule_301.png b/train/images/molecule_301.png new file mode 100644 index 0000000000000000000000000000000000000000..3394202c550e44264fb8a5fc70ecb5fcf174c7ba --- /dev/null +++ b/train/images/molecule_301.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3a2e0ec4e46251008c6c95575f8874181bc8792e8a72dba8897f951eee47095 +size 11818 diff --git a/train/images/molecule_302.png b/train/images/molecule_302.png new file mode 100644 index 0000000000000000000000000000000000000000..5be6041e96662df1aba710c76c5042465efe3163 --- /dev/null +++ b/train/images/molecule_302.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b03bb4afcf3f8ab805e4da908fae73acc61cfaf3c55b40c1658d6c067ba8bc49 +size 12073 diff --git a/train/images/molecule_303.png b/train/images/molecule_303.png new file mode 100644 index 0000000000000000000000000000000000000000..1da4dc032e9154f71e283c33c3d9e8bcd7f60587 --- /dev/null +++ b/train/images/molecule_303.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5102f1df2bd09cc46d830d69bd1969f6c07c4ed9195bccc01a2a63c272bcd28f +size 11255 diff --git a/train/images/molecule_304.png b/train/images/molecule_304.png new file mode 100644 index 0000000000000000000000000000000000000000..880711ee7eb93515a80f6fd776893be49ba08109 --- /dev/null +++ b/train/images/molecule_304.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:65427eb982fcbdb96db57cd815529fe3c4fb3089960937c42e096d6fae7ea17b +size 9185 diff --git a/train/images/molecule_305.png b/train/images/molecule_305.png new file mode 100644 index 0000000000000000000000000000000000000000..dfd70d595f2e48f76bb71bcd563d5b30deaf6282 --- /dev/null +++ b/train/images/molecule_305.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e9b40d002fe3df7c526d81036ac16e9183d78dec06fe6e64da47cade1a5d8e2 +size 11114 diff --git a/train/images/molecule_306.png b/train/images/molecule_306.png new file mode 100644 index 0000000000000000000000000000000000000000..dfca44daedbc4806a5c2f6ca35affcaa6aca7c3c --- /dev/null +++ b/train/images/molecule_306.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f1f5a936ce23a056dbabdaf9d77e566533893e43cf7b5c3b3724503b3988fdab +size 12679 diff --git a/train/images/molecule_307.png b/train/images/molecule_307.png new file mode 100644 index 0000000000000000000000000000000000000000..444b5368614c496dc305cd92ba57ceeeed780d80 --- /dev/null +++ b/train/images/molecule_307.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b6dd6f185a0facaf7a8920c58d39daebae6c18764335746a52ebbae7a3054a5 +size 10354 diff --git a/train/images/molecule_308.png b/train/images/molecule_308.png new file mode 100644 index 0000000000000000000000000000000000000000..b745439fa7a68bb4bdbea126a2036fcd60f41115 --- /dev/null +++ b/train/images/molecule_308.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:60164efdc6ff1f7d413827a2375e218dab772343e2ae3d65a41356c49d9b9f4d +size 11376 diff --git a/train/images/molecule_309.png b/train/images/molecule_309.png new file mode 100644 index 0000000000000000000000000000000000000000..60f28839f1e1640e503f65a300a1ed3b235de30a --- /dev/null +++ b/train/images/molecule_309.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f58aed8d44739c6cc67cc8693b07af310b97eef69f3978ab573cb396448f8a56 +size 9952 diff --git a/train/images/molecule_31.png b/train/images/molecule_31.png new file mode 100644 index 0000000000000000000000000000000000000000..ee7030b07b9b956e5d88f6dc56346e2e922afcbf --- /dev/null +++ b/train/images/molecule_31.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b45e5250b24406d505c622a662ad8b8198d73d773eb1c24071cdff86dd4556cf +size 9991 diff --git a/train/images/molecule_310.png b/train/images/molecule_310.png new file mode 100644 index 0000000000000000000000000000000000000000..3be0a59969373ad4c58c3bd8538642cd0084fff1 --- /dev/null +++ b/train/images/molecule_310.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:695e55e51f92f1c45540c3bc61303203469ba61098e0ff14e898720530f3187b +size 10844 diff --git a/train/images/molecule_311.png b/train/images/molecule_311.png new file mode 100644 index 0000000000000000000000000000000000000000..7de507652ec4113bdaf0a582ae182cd4ff5e1028 --- /dev/null +++ b/train/images/molecule_311.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a143dd8d663bfaa0da12dce17e2044880ce6be7a9076bde8530f6752783027ae +size 13062 diff --git a/train/images/molecule_312.png b/train/images/molecule_312.png new file mode 100644 index 0000000000000000000000000000000000000000..72d0e39c402e0983199bc0b61f2de40bb2c87cb2 --- /dev/null +++ b/train/images/molecule_312.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8f05ad6e493bbc634d3448337a92a413a7be1a4a59aff757ff7a5fee5fd5c537 +size 12715 diff --git a/train/images/molecule_313.png b/train/images/molecule_313.png new file mode 100644 index 0000000000000000000000000000000000000000..b3d84ff876dd95f531ec8003afb0ba99d31c08e8 --- /dev/null +++ b/train/images/molecule_313.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:679cd3c2e13b45bbecdf5da84b2cd0dceac0bd83f3d188d141ac68d5a5786d10 +size 10343 diff --git a/train/images/molecule_314.png b/train/images/molecule_314.png new file mode 100644 index 0000000000000000000000000000000000000000..fafcd3a34097d12bca77fe3a062118e388e25217 --- /dev/null +++ b/train/images/molecule_314.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f011f27ce3859a59a9869f5e50873667a308702e706a17946b7dca7df2694a51 +size 12312 diff --git a/train/images/molecule_315.png b/train/images/molecule_315.png new file mode 100644 index 0000000000000000000000000000000000000000..a1d4325a02d1e2ca839fce54c89c43471c9aeb0b --- /dev/null +++ b/train/images/molecule_315.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a7d396a2bac417297171a227232506081975b41505b66132c1fb20df62407f1 +size 11756 diff --git a/train/images/molecule_316.png b/train/images/molecule_316.png new file mode 100644 index 0000000000000000000000000000000000000000..395c7d321acb8dc749d500217b2a89e8ce8b2271 --- /dev/null +++ b/train/images/molecule_316.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:16fbae8001bc259d487d1f61b4150c673a13b9dce2156e5c97859f8e89aed1c0 +size 15276 diff --git a/train/images/molecule_317.png b/train/images/molecule_317.png new file mode 100644 index 0000000000000000000000000000000000000000..3d165889bcf322018305f3fe6eafacbda543135f --- /dev/null +++ b/train/images/molecule_317.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ce99a95b5a33a9a4cc0fc16ee17b69cf66932638796cb435691bd56c11bbd35 +size 13659 diff --git a/train/images/molecule_318.png b/train/images/molecule_318.png new file mode 100644 index 0000000000000000000000000000000000000000..e90bedb92b02b30f6d545de1745d0ec9fc413ceb --- /dev/null +++ b/train/images/molecule_318.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:796a0a1e3f3a2e13897c11a81e4f509866dc84d15c96b01655e4c7b836033fe8 +size 10331 diff --git a/train/images/molecule_319.png b/train/images/molecule_319.png new file mode 100644 index 0000000000000000000000000000000000000000..c8232d0972f51542dcba7511402e3b8dbe535f6f --- /dev/null +++ b/train/images/molecule_319.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0e4a96404b25b03d10692ce403c1887a0201d9e97fe4fcec35dfc28f4671dff +size 10099 diff --git a/train/images/molecule_32.png b/train/images/molecule_32.png new file mode 100644 index 0000000000000000000000000000000000000000..38805b672163e87cc89ba58ad06d351a3839d083 --- /dev/null +++ b/train/images/molecule_32.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eaba91d0b8361195ebf5c34fdaa3bae1f2b6acb68bd94db3ba17ce49d78e754b +size 11084 diff --git a/train/images/molecule_320.png b/train/images/molecule_320.png new file mode 100644 index 0000000000000000000000000000000000000000..444b5368614c496dc305cd92ba57ceeeed780d80 --- /dev/null +++ b/train/images/molecule_320.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b6dd6f185a0facaf7a8920c58d39daebae6c18764335746a52ebbae7a3054a5 +size 10354 diff --git a/train/images/molecule_321.png b/train/images/molecule_321.png new file mode 100644 index 0000000000000000000000000000000000000000..87a5c6dea7af7666c4e65f2c8f3d692108b8157e --- /dev/null +++ b/train/images/molecule_321.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4ee59b7e72cfd9d5a4e98ba25c12e6b42b3d2cc7aac63004cd995aebe5b004e +size 9730 diff --git a/train/images/molecule_322.png b/train/images/molecule_322.png new file mode 100644 index 0000000000000000000000000000000000000000..20fa731d543228230acd55fc6dc62dba9960c1d1 --- /dev/null +++ b/train/images/molecule_322.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62bc117e60bf32ce4faf5b22a1ed9eabbc2ac1e639d9d54e2b8f9b4f99785ea1 +size 13039 diff --git a/train/images/molecule_323.png b/train/images/molecule_323.png new file mode 100644 index 0000000000000000000000000000000000000000..af250d3fdb7298be101797eebe12827487877ba7 --- /dev/null +++ b/train/images/molecule_323.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a728a846fdd086c649797a8ebf918b1e3e98e34b5df9f8c1828339106001c80c +size 11781 diff --git a/train/images/molecule_324.png b/train/images/molecule_324.png new file mode 100644 index 0000000000000000000000000000000000000000..e0c445f46176a34dd2cf05ec1bdaac93805175f7 --- /dev/null +++ b/train/images/molecule_324.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:adfdc4655840dbbdc389f0655136c578113b645b0bcfbb2ef783eaea7be9981b +size 12384 diff --git a/train/images/molecule_325.png b/train/images/molecule_325.png new file mode 100644 index 0000000000000000000000000000000000000000..8ca17c915ae198c4b2c31e87ba668d3cb73ace06 --- /dev/null +++ b/train/images/molecule_325.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c0ea2ef54a39ebacaef003f52b364838f154d4d8b25e8575fab86ae1fa2b702 +size 6229 diff --git a/train/images/molecule_326.png b/train/images/molecule_326.png new file mode 100644 index 0000000000000000000000000000000000000000..91461e447e8ec0232674166e88a9f0fc72d91617 --- /dev/null +++ b/train/images/molecule_326.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c78bf0310568419b731f489dcbf0f1458a6970324a0700ffb9e39106b41ad044 +size 10461 diff --git a/train/images/molecule_327.png b/train/images/molecule_327.png new file mode 100644 index 0000000000000000000000000000000000000000..ab7bf890160ac71f06ede40e09f9935c50d58e9b --- /dev/null +++ b/train/images/molecule_327.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf6ead5aecd3c2b85ac1562fd6bb74c3f4332eb4f391ad972269b6ba2314d7ad +size 11457 diff --git a/train/images/molecule_328.png b/train/images/molecule_328.png new file mode 100644 index 0000000000000000000000000000000000000000..559360532c25f88ddc0aa7e2aec310f764cafd97 --- /dev/null +++ b/train/images/molecule_328.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b7deb119563b9a1be42fc002cd23decbae5b611ed2d4289fac27fad772e4ce5f +size 10782 diff --git a/train/images/molecule_329.png b/train/images/molecule_329.png new file mode 100644 index 0000000000000000000000000000000000000000..a21ec08c48aa81ff8e68dad0941c3b21cb975dc2 --- /dev/null +++ b/train/images/molecule_329.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea12642c7fac24fd83a4e387f23ffccb113c2053f7c00566ffea87f23a3fdd10 +size 11254 diff --git a/train/images/molecule_33.png b/train/images/molecule_33.png new file mode 100644 index 0000000000000000000000000000000000000000..22f591cf04d5b845762ad1dbf373b3573f8921c7 --- /dev/null +++ b/train/images/molecule_33.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:14c5281b29aac3cf1f32de967fc17f851c71d04a22c81656a48c1dd430013b95 +size 13886 diff --git a/train/images/molecule_330.png b/train/images/molecule_330.png new file mode 100644 index 0000000000000000000000000000000000000000..21b9cf1097f418554fe1f6d9a27af69b1e498f85 --- /dev/null +++ b/train/images/molecule_330.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1191194ea36afa8f8163461ae4a697ef9d74a7df46c2b2c5730bac0ec5fdcf30 +size 10471 diff --git a/train/images/molecule_331.png b/train/images/molecule_331.png new file mode 100644 index 0000000000000000000000000000000000000000..9a6a27646d86d15d7f2f2ce71553047e4c0499a4 --- /dev/null +++ b/train/images/molecule_331.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8ea93f3f6c7eabfedb009ed579de7e608739e6e4057d4778df5c85cf696f53fe +size 14724 diff --git a/train/images/molecule_332.png b/train/images/molecule_332.png new file mode 100644 index 0000000000000000000000000000000000000000..09cb862d9ff8bf2bf6e63fc34934c77a1b48bd3e --- /dev/null +++ b/train/images/molecule_332.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:42c06ff2efbc62267035922a747ba20216a5beea0f79ce346e61ba5be950b027 +size 10836 diff --git a/train/images/molecule_333.png b/train/images/molecule_333.png new file mode 100644 index 0000000000000000000000000000000000000000..3c0c9d2f5bf3a3fda91da7ec53c248607d2a88b0 --- /dev/null +++ b/train/images/molecule_333.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3a324267e76c0a8fafde0832a781cb2f93339f2661268e0398645f0bbc1b5b2d +size 9227 diff --git a/train/images/molecule_334.png b/train/images/molecule_334.png new file mode 100644 index 0000000000000000000000000000000000000000..6fc85670b792c53a810b95fa49ab88f3581bec84 --- /dev/null +++ b/train/images/molecule_334.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc870fd3663dbfa390f2d9c880c28335c6f7fa4a9f136724131f575863b6f184 +size 12915 diff --git a/train/images/molecule_335.png b/train/images/molecule_335.png new file mode 100644 index 0000000000000000000000000000000000000000..78223d9877a863809b8eebfc1f1ead97a290e1ca --- /dev/null +++ b/train/images/molecule_335.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7bc0f00f6e87518d24ecd640d8a08d7bce424b21f1d43ba1706c8ecf24c9be8 +size 9419 diff --git a/train/images/molecule_336.png b/train/images/molecule_336.png new file mode 100644 index 0000000000000000000000000000000000000000..c927c1e9295761dcd9829d5624b031d2f6f89b4d --- /dev/null +++ b/train/images/molecule_336.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1103caccaf1827eb16cd82d3b6341948d6583e73dbefc3e891f8652b1400c441 +size 12512 diff --git a/train/images/molecule_337.png b/train/images/molecule_337.png new file mode 100644 index 0000000000000000000000000000000000000000..9d9889f1433bb2a6233cbebfcbb5ff71c0a93ee2 --- /dev/null +++ b/train/images/molecule_337.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6fc5246de44e45284f5e78ea1894e7fba49e5f2963cfceb7a1306ed329030026 +size 10596 diff --git a/train/images/molecule_338.png b/train/images/molecule_338.png new file mode 100644 index 0000000000000000000000000000000000000000..f456ad7a0fefa822ad13bed13b709e4e7d5fe784 --- /dev/null +++ b/train/images/molecule_338.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ca0ba12cb454a0aecaaaa00ba6e5d01ca7bbd1b93cdcfc55155a41368ed5d14 +size 8570 diff --git a/train/images/molecule_339.png b/train/images/molecule_339.png new file mode 100644 index 0000000000000000000000000000000000000000..f7ef8dcad1af8353f14c230f793a3f6881e749d0 --- /dev/null +++ b/train/images/molecule_339.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:728ff2e729cde9d0f7555e0067b36389612dde7e4a923cbd95bbeafc6215003c +size 9718 diff --git a/train/images/molecule_34.png b/train/images/molecule_34.png new file mode 100644 index 0000000000000000000000000000000000000000..35532f3ac57976261bb6ab44cfe5eef8d073caa8 --- /dev/null +++ b/train/images/molecule_34.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48791b4d8ac5348fc0140aee185cafe733f5fa13004bc2a3cd52cc263b27e25e +size 12987 diff --git a/train/images/molecule_340.png b/train/images/molecule_340.png new file mode 100644 index 0000000000000000000000000000000000000000..00665029b9119fbad845f07f7df483fe1f3f87ef --- /dev/null +++ b/train/images/molecule_340.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ef16ba148ddd0493e27d6db71b4833afa59659174f5efca6c23a5c14c1ecab6 +size 8012 diff --git a/train/images/molecule_341.png b/train/images/molecule_341.png new file mode 100644 index 0000000000000000000000000000000000000000..5a877a72cac68bf1078c9ccad159012cb66c5341 --- /dev/null +++ b/train/images/molecule_341.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54a50f69fa6928ef9e15a6d90c13ffbe7e973e059f5cbc7f3dcbebc34c7dcd95 +size 9163 diff --git a/train/images/molecule_342.png b/train/images/molecule_342.png new file mode 100644 index 0000000000000000000000000000000000000000..6ef8beb311d394dd261f5e2a1d7dd1872730d55c --- /dev/null +++ b/train/images/molecule_342.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a34fdfd0da77139fab3b0fcba7edfefed76731ab65ef35d5fc8c3da74f54d4f4 +size 12415 diff --git a/train/images/molecule_343.png b/train/images/molecule_343.png new file mode 100644 index 0000000000000000000000000000000000000000..bb866d45c447ccc36d728fa90e8171bd3c5120d2 --- /dev/null +++ b/train/images/molecule_343.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c32c2c0034698d8069bb2a3a386fb05e3a9832f5232808537f9149959d628ee9 +size 11783 diff --git a/train/images/molecule_344.png b/train/images/molecule_344.png new file mode 100644 index 0000000000000000000000000000000000000000..45d3ba6f7d8e4ac6869cc88e10241c2934168194 --- /dev/null +++ b/train/images/molecule_344.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c5a3ffaa7d19ca094c6a601bf8c42af80d2850acd573c48a6818d51b54a3a77 +size 11050 diff --git a/train/images/molecule_345.png b/train/images/molecule_345.png new file mode 100644 index 0000000000000000000000000000000000000000..5114725aef1a40185e956a32bc06ed1474a0e94d --- /dev/null +++ b/train/images/molecule_345.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:30569c50ac4f071e8837ea0fa2e91464565ebb99b80f5559dcc97415e93ca756 +size 10514 diff --git a/train/images/molecule_346.png b/train/images/molecule_346.png new file mode 100644 index 0000000000000000000000000000000000000000..3770bef9b187065a45090151d79ec7a3069106a4 --- /dev/null +++ b/train/images/molecule_346.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ce48cbbce0ed5e25e29382da702bf9c69f42a33e6463a91c3b4e08da8f34559 +size 13496 diff --git a/train/images/molecule_347.png b/train/images/molecule_347.png new file mode 100644 index 0000000000000000000000000000000000000000..4362808ac917ffa12d3f2f6a0f29cd3bc416b868 --- /dev/null +++ b/train/images/molecule_347.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c57947655b04de3c3b33cad5a65abfcd1d367eb18d75e37d27da6fb1202e260 +size 11118 diff --git a/train/images/molecule_348.png b/train/images/molecule_348.png new file mode 100644 index 0000000000000000000000000000000000000000..37b25d6c2da5aea962d085c73b3c2ec9d6db8904 --- /dev/null +++ b/train/images/molecule_348.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5972fd3ef16783b4329a4f726474e6542394a1676fe622731b50f25d9b1da0f +size 8365 diff --git a/train/images/molecule_349.png b/train/images/molecule_349.png new file mode 100644 index 0000000000000000000000000000000000000000..7ed3cb160073b452c2a82bf24afcf3cbbd7b61bf --- /dev/null +++ b/train/images/molecule_349.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:81c4c5b6337f6c4a2ed58ad865d1cce9f59bed5b1af7be0e645edeb576d96d44 +size 12722 diff --git a/train/images/molecule_35.png b/train/images/molecule_35.png new file mode 100644 index 0000000000000000000000000000000000000000..effe66d13506ec48ecb91762abfb45f864427973 --- /dev/null +++ b/train/images/molecule_35.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5ecdb412e5cd3543719d2e95111406849dea4d9acbba8b26e37bc91fa4280be +size 10821 diff --git a/train/images/molecule_350.png b/train/images/molecule_350.png new file mode 100644 index 0000000000000000000000000000000000000000..ba20ad7961bb7a7d241335608b96335e7ce77b6a --- /dev/null +++ b/train/images/molecule_350.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f2d3a4c11449b25b500ce65bcadc7d97b26d39ab961c7ca84da1efdc1f68ef17 +size 11602 diff --git a/train/images/molecule_351.png b/train/images/molecule_351.png new file mode 100644 index 0000000000000000000000000000000000000000..146205338389cd866a6ea544d0e5cf988674d650 --- /dev/null +++ b/train/images/molecule_351.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:45dbdb118c0b568118af0d74bb9338c60c7e140b908120fd4fc49406638ca13f +size 11812 diff --git a/train/images/molecule_352.png b/train/images/molecule_352.png new file mode 100644 index 0000000000000000000000000000000000000000..b4de99ea14f61fc82a281aa67c2437084b3da59c --- /dev/null +++ b/train/images/molecule_352.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:117d69278892bdd00796bf4f2dd65aed8db50a143641463402ff36d5644fb718 +size 11568 diff --git a/train/images/molecule_353.png b/train/images/molecule_353.png new file mode 100644 index 0000000000000000000000000000000000000000..e8f99c1766f26ffaf5437c2648a283dc94ba4b70 --- /dev/null +++ b/train/images/molecule_353.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91cae7a02917e5fc2f9348a6ab7ec7a15e4cdae2f118b2fc31c23a7f770fe20b +size 12270 diff --git a/train/images/molecule_354.png b/train/images/molecule_354.png new file mode 100644 index 0000000000000000000000000000000000000000..9a2c277855bd7c1dd547f3b4ae4b5236149f82f0 --- /dev/null +++ b/train/images/molecule_354.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c63fba8525f55867d77d0cdaab242b862e000902851f39f9eeef3b9230fd860 +size 11771 diff --git a/train/images/molecule_355.png b/train/images/molecule_355.png new file mode 100644 index 0000000000000000000000000000000000000000..a63e511bb4707ba1a347ad4e5ea821a172141b82 --- /dev/null +++ b/train/images/molecule_355.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5b7dd80159bbeb449457681a0d8194d638b9d407f4708ace120588658ccc5df0 +size 11683 diff --git a/train/images/molecule_356.png b/train/images/molecule_356.png new file mode 100644 index 0000000000000000000000000000000000000000..2eeed3d8b0a64006be5b93b74d90f40875f5e07b --- /dev/null +++ b/train/images/molecule_356.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d0c1bd859fccf3013d9bb920fb9afaa2a42cda51a88e7374b1968e4dfaf1523 +size 13052 diff --git a/train/images/molecule_357.png b/train/images/molecule_357.png new file mode 100644 index 0000000000000000000000000000000000000000..75dcaadad1b366e13a66018dcfd7bc6f009e3bc6 --- /dev/null +++ b/train/images/molecule_357.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9606633fbc2f18e5e57823e4d666ca36de611577e61689012db7445cfe7a1d47 +size 13385 diff --git a/train/images/molecule_358.png b/train/images/molecule_358.png new file mode 100644 index 0000000000000000000000000000000000000000..1f4869d2bfabb522174a584a43ac8029efb0e909 --- /dev/null +++ b/train/images/molecule_358.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5d6a181989b552bf66b4fc25f50a7e1b0e9152ac35028bd369310dbd94958b23 +size 12567 diff --git a/train/images/molecule_359.png b/train/images/molecule_359.png new file mode 100644 index 0000000000000000000000000000000000000000..0b3fd390da08a54fb07d63a4317305703db3826b --- /dev/null +++ b/train/images/molecule_359.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9c2fa069d45b823cada7d54eb9535681463ea3ef6e14e7e3334144ceec93835 +size 11721 diff --git a/train/images/molecule_36.png b/train/images/molecule_36.png new file mode 100644 index 0000000000000000000000000000000000000000..f85bf6c6ffa72b5ff562a1df2b27176c9477e271 --- /dev/null +++ b/train/images/molecule_36.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e768aa87420504f400197c4e7f32d1052b96e09890017ab6bd44d5bb67df607 +size 9473 diff --git a/train/images/molecule_360.png b/train/images/molecule_360.png new file mode 100644 index 0000000000000000000000000000000000000000..7a874beda11d98618966762a9a797aafa992a2f8 --- /dev/null +++ b/train/images/molecule_360.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:70a2a37720bb9e11dd6b849a6e2a6e4a4de51efcf84efac03368f0d3febfe4a5 +size 12778 diff --git a/train/images/molecule_361.png b/train/images/molecule_361.png new file mode 100644 index 0000000000000000000000000000000000000000..d48a2bf3ae5554dd67bb8bcf5eaa4c9c6142c3ba --- /dev/null +++ b/train/images/molecule_361.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1938233d116064fb1a50c451a46b278f4b7864463014ef8375ad5217158e326 +size 11363 diff --git a/train/images/molecule_362.png b/train/images/molecule_362.png new file mode 100644 index 0000000000000000000000000000000000000000..7e93afc6e9f429171cfc8224db3ca8e66aa6adff --- /dev/null +++ b/train/images/molecule_362.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c4880114b76b678b5c769ed52b40d262cb88a3cd156a3ebb542197a0e804b62e +size 10943 diff --git a/train/images/molecule_363.png b/train/images/molecule_363.png new file mode 100644 index 0000000000000000000000000000000000000000..ef132c59f8d1a409ae20bfb7a06167923f6f15b8 --- /dev/null +++ b/train/images/molecule_363.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa0cfd31e7eff7b14fe9f73f57369454ba27a7bca0a4ec6e4bf5a85b47e6f1b7 +size 10988 diff --git a/train/images/molecule_364.png b/train/images/molecule_364.png new file mode 100644 index 0000000000000000000000000000000000000000..d052418bb8c6457d56b36efa015598e21c106246 --- /dev/null +++ b/train/images/molecule_364.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9e1aec9026829453c8accd25155b2c3bc10c9308a080e59bdfeff042a0798a1 +size 12059 diff --git a/train/images/molecule_365.png b/train/images/molecule_365.png new file mode 100644 index 0000000000000000000000000000000000000000..b4de99ea14f61fc82a281aa67c2437084b3da59c --- /dev/null +++ b/train/images/molecule_365.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:117d69278892bdd00796bf4f2dd65aed8db50a143641463402ff36d5644fb718 +size 11568 diff --git a/train/images/molecule_366.png b/train/images/molecule_366.png new file mode 100644 index 0000000000000000000000000000000000000000..7c4830728b88abec3a62784f97f585bbc8068443 --- /dev/null +++ b/train/images/molecule_366.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c439ccbd3c4ec70774f861a3a678d6110087d62f2cc43fc49babf9dccaf2fbf +size 10926 diff --git a/train/images/molecule_367.png b/train/images/molecule_367.png new file mode 100644 index 0000000000000000000000000000000000000000..0f065533694a5a169eff29ef93c029a959783b00 --- /dev/null +++ b/train/images/molecule_367.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3538c093ef1ca63f8a0f8176e9f4b53fd2956ff468a4377a184ae3869a5ca445 +size 8618 diff --git a/train/images/molecule_368.png b/train/images/molecule_368.png new file mode 100644 index 0000000000000000000000000000000000000000..63cb35895fb6b2d9da0f4af372364845f6d76860 --- /dev/null +++ b/train/images/molecule_368.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:be8e913739d5528f3469d552c3e42348cac535a3b37daf8d9821b5ed59ef88cd +size 12641 diff --git a/train/images/molecule_369.png b/train/images/molecule_369.png new file mode 100644 index 0000000000000000000000000000000000000000..08d67ee709c7f8769d3a3db110489206bc8b9723 --- /dev/null +++ b/train/images/molecule_369.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cb78880958e38c1dcd344fe34f52c1b0833d833e5445ee414b35f0e3b66307df +size 11441 diff --git a/train/images/molecule_37.png b/train/images/molecule_37.png new file mode 100644 index 0000000000000000000000000000000000000000..038a5ed0abe0dfcdeb5da61fa89a234c06862dff --- /dev/null +++ b/train/images/molecule_37.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af2d65c94e7f2d584ded1bdbf7703b1135d87eeaa072451be9af0a329c021c10 +size 13559 diff --git a/train/images/molecule_370.png b/train/images/molecule_370.png new file mode 100644 index 0000000000000000000000000000000000000000..508b08d45135aacf03878c05ef6c49e10011bc46 --- /dev/null +++ b/train/images/molecule_370.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:00615df1ced68f35dcb81f11e7149dc7f9475d8f37fab3d67f9c9804c605e3fe +size 11876 diff --git a/train/images/molecule_371.png b/train/images/molecule_371.png new file mode 100644 index 0000000000000000000000000000000000000000..5bf9d23046a65eea849b75d5c9ba5babc94734c1 --- /dev/null +++ b/train/images/molecule_371.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8c2e56d23ae4d31986e7ff27693460dc29aa4126ae42efbaae3a8743e74fe45 +size 9173 diff --git a/train/images/molecule_372.png b/train/images/molecule_372.png new file mode 100644 index 0000000000000000000000000000000000000000..55c024572ed158f6342638c919d20efee17a3f3d --- /dev/null +++ b/train/images/molecule_372.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1ec1e4564fc52db4c7771afafa47ee2bfed758c40fad8b3e3cda4bd658d5f52f +size 15465 diff --git a/train/images/molecule_373.png b/train/images/molecule_373.png new file mode 100644 index 0000000000000000000000000000000000000000..4b17496885603f154e3060a85ab16178a811d218 --- /dev/null +++ b/train/images/molecule_373.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0f700f4697127a5395bd9539b172491ec9225dea5d97384b50f8b9b8d82009b2 +size 13093 diff --git a/train/images/molecule_374.png b/train/images/molecule_374.png new file mode 100644 index 0000000000000000000000000000000000000000..ab78ae6f3a187007a45c2785124f3f6f8bdf6b66 --- /dev/null +++ b/train/images/molecule_374.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4f2039da5d542a02e5ad187fbdc83b7288964c550e61af2919d8b054117ae526 +size 8575 diff --git a/train/images/molecule_375.png b/train/images/molecule_375.png new file mode 100644 index 0000000000000000000000000000000000000000..42577f42cf90e7cec633aacfd252a5f4e18fdc10 --- /dev/null +++ b/train/images/molecule_375.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:590acd2e0f09a33425796f27e4d8db47b071e8c9b6b30909a8472f211ce0682d +size 8557 diff --git a/train/images/molecule_376.png b/train/images/molecule_376.png new file mode 100644 index 0000000000000000000000000000000000000000..a1a8ce04010de255092143d162e2f72fe6ef0e4b --- /dev/null +++ b/train/images/molecule_376.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4080e40af5bd6cf3ddf5daf3b7b61b79d37e60c94d833ea247010f8ddca8ee0f +size 12146 diff --git a/train/images/molecule_377.png b/train/images/molecule_377.png new file mode 100644 index 0000000000000000000000000000000000000000..63884cb1c12ae1a468f5cff242241bb73e98917c --- /dev/null +++ b/train/images/molecule_377.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bebbfcb4c3badaa7bfcf827c6ef168f39701b42706479b136a1a0bb226bc377d +size 11979 diff --git a/train/images/molecule_378.png b/train/images/molecule_378.png new file mode 100644 index 0000000000000000000000000000000000000000..c97a75a87dd7e10b0e006d789c8ed4fae6a65d6f --- /dev/null +++ b/train/images/molecule_378.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19faadf5e2ffa15145cec6cb3ddb5804e3a231b521e17447165adaa9cafaf48d +size 9573 diff --git a/train/images/molecule_379.png b/train/images/molecule_379.png new file mode 100644 index 0000000000000000000000000000000000000000..7893c73d72391f77ccdbb4b9aca814a06235418d --- /dev/null +++ b/train/images/molecule_379.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c410603b145a07fee54c7f17ac93008a294f554e5bfed2f9450fa5ff348f74ba +size 11774 diff --git a/train/images/molecule_38.png b/train/images/molecule_38.png new file mode 100644 index 0000000000000000000000000000000000000000..3c8440d210ecc32cb4083d82088f48aba8d5dedd --- /dev/null +++ b/train/images/molecule_38.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d9a474f908712d1f920a1a408aff0e8bdb7a46405283be52a1e0ce56aecdda1 +size 8901 diff --git a/train/images/molecule_380.png b/train/images/molecule_380.png new file mode 100644 index 0000000000000000000000000000000000000000..af846aadd48e095a84193ba13a4fe72553dba774 --- /dev/null +++ b/train/images/molecule_380.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ce7e54c18738e83ffe6fa9292c7e6816dfe116f5c8c08175597c7ad4414659b2 +size 12829 diff --git a/train/images/molecule_381.png b/train/images/molecule_381.png new file mode 100644 index 0000000000000000000000000000000000000000..5d9352f3767e3aae43234c42af8e8ffe834eab48 --- /dev/null +++ b/train/images/molecule_381.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c5534e26e1b3c51c1d59bebc9e708327168878fbd65c7e8e54db249dbc69f91 +size 9047 diff --git a/train/images/molecule_382.png b/train/images/molecule_382.png new file mode 100644 index 0000000000000000000000000000000000000000..572796fc58c85840c297b06a7cb04b3fa2a2bac3 --- /dev/null +++ b/train/images/molecule_382.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:429d9a3dbacc53ccc4e259ef2b08afe31fe5cd4ca82849a3684101ce89dddffe +size 15653 diff --git a/train/images/molecule_383.png b/train/images/molecule_383.png new file mode 100644 index 0000000000000000000000000000000000000000..e04a47ec4737099c6c1453d91335321c862cb431 --- /dev/null +++ b/train/images/molecule_383.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fbf64baebfa8d0a3bc1760d1b709228b6765b0b09b53cf6c496f744e8cf0b87b +size 10779 diff --git a/train/images/molecule_384.png b/train/images/molecule_384.png new file mode 100644 index 0000000000000000000000000000000000000000..a5f7de3f7e99fe9fa7d8401fd27fa643a994a66a --- /dev/null +++ b/train/images/molecule_384.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eebb0d39638d9573afdb1dcb5c32b4e6a34a8d63fd7ff32c43e7b30492b17537 +size 10444 diff --git a/train/images/molecule_385.png b/train/images/molecule_385.png new file mode 100644 index 0000000000000000000000000000000000000000..602c6fc5811f7c4e7025c037fa4ab51449d3e8e6 --- /dev/null +++ b/train/images/molecule_385.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3253b739e83cb08fd36a6cc095f400fdcd1cf5e4ec2a6a91738276b437bfdf32 +size 10280 diff --git a/train/images/molecule_386.png b/train/images/molecule_386.png new file mode 100644 index 0000000000000000000000000000000000000000..b8649729e6fbd8a8d8e27a50538db0a9cfc410a0 --- /dev/null +++ b/train/images/molecule_386.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afb3e7d2f71a46fe91faa980e6c2f0ef8423ca5bb4261f836f4953c810c0e690 +size 13768 diff --git a/train/images/molecule_387.png b/train/images/molecule_387.png new file mode 100644 index 0000000000000000000000000000000000000000..a3eaa310002a58cd4bc3ec0983959dba35d17bd9 --- /dev/null +++ b/train/images/molecule_387.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c005def9dab794cc07514d5794b78878baa7c18d078d3ce47cd5c08a5400939 +size 12038 diff --git a/train/images/molecule_388.png b/train/images/molecule_388.png new file mode 100644 index 0000000000000000000000000000000000000000..b1853dc6122e55be523e0dd22bab4c3954322f68 --- /dev/null +++ b/train/images/molecule_388.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:07f67cdad0380cd2aec67f5cb3a29c0386c9e9c4e78a1ae056e85dad76209bae +size 11788 diff --git a/train/images/molecule_389.png b/train/images/molecule_389.png new file mode 100644 index 0000000000000000000000000000000000000000..eb05e20d630236fc53c6f4933a844c59ee7c103d --- /dev/null +++ b/train/images/molecule_389.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ee53977760f2517f7efcc3e24e69ffb4dbd285e6dee2d16b92e853d097d15289 +size 9264 diff --git a/train/images/molecule_39.png b/train/images/molecule_39.png new file mode 100644 index 0000000000000000000000000000000000000000..cdd42217e60ce7575d4b12c20d906e94fe2c80dc --- /dev/null +++ b/train/images/molecule_39.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b13c211c30511397fcaaa034b26e2cb07e577010bb6d42922bd629ac550365bb +size 8979 diff --git a/train/images/molecule_390.png b/train/images/molecule_390.png new file mode 100644 index 0000000000000000000000000000000000000000..7044fb33f30be7ff32cfa8e04d41f1a21bb2a7a3 --- /dev/null +++ b/train/images/molecule_390.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:561d1b213d0c483c6013ca4ccfa6d838e19a6db52533e1c40de03ed2b2869129 +size 11951 diff --git a/train/images/molecule_391.png b/train/images/molecule_391.png new file mode 100644 index 0000000000000000000000000000000000000000..601f0a61a5723f6e96d19986272230d9c3e88627 --- /dev/null +++ b/train/images/molecule_391.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1237ec7704f5178eb5c3d6e6788342e04c914478822321ad4736b0566ef40f68 +size 9785 diff --git a/train/images/molecule_392.png b/train/images/molecule_392.png new file mode 100644 index 0000000000000000000000000000000000000000..d1895569c05ff04f79a8226b7275730ea0135e73 --- /dev/null +++ b/train/images/molecule_392.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a143b172b724c27fcff4824414396b3469d10f8ba3d000059386fe253da81dc +size 9527 diff --git a/train/images/molecule_393.png b/train/images/molecule_393.png new file mode 100644 index 0000000000000000000000000000000000000000..b89f8c0d1099db323135078d05d09e296332e2a3 --- /dev/null +++ b/train/images/molecule_393.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:824dcdf264dd905f6ef8efbb3e3102830b1c691c726cef2130058f5b6e53f035 +size 8731 diff --git a/train/images/molecule_394.png b/train/images/molecule_394.png new file mode 100644 index 0000000000000000000000000000000000000000..8d26df35c50d1808c0cc9b17ad5f20f3ea29cd90 --- /dev/null +++ b/train/images/molecule_394.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b0cb42cbe9b59d689a51637f30e253446bae46551b96766566d3ee686df7db5 +size 10611 diff --git a/train/images/molecule_395.png b/train/images/molecule_395.png new file mode 100644 index 0000000000000000000000000000000000000000..1f2b81499ce62e3bd3e5ecdd33f51b8a280c1f94 --- /dev/null +++ b/train/images/molecule_395.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1ffeca1ffd8d4cca81358d7039f18fdc288bc1974faa73f67a80fd37e91a19a +size 9609 diff --git a/train/images/molecule_396.png b/train/images/molecule_396.png new file mode 100644 index 0000000000000000000000000000000000000000..3770bef9b187065a45090151d79ec7a3069106a4 --- /dev/null +++ b/train/images/molecule_396.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ce48cbbce0ed5e25e29382da702bf9c69f42a33e6463a91c3b4e08da8f34559 +size 13496 diff --git a/train/images/molecule_397.png b/train/images/molecule_397.png new file mode 100644 index 0000000000000000000000000000000000000000..f5edc2d1141f416c166d3fb0c911612526ef7c98 --- /dev/null +++ b/train/images/molecule_397.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4083ef260e9c87c84003bc75c0ab26272102a52beba0a06ceb13b379f0017b87 +size 10817 diff --git a/train/images/molecule_398.png b/train/images/molecule_398.png new file mode 100644 index 0000000000000000000000000000000000000000..9a2c277855bd7c1dd547f3b4ae4b5236149f82f0 --- /dev/null +++ b/train/images/molecule_398.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c63fba8525f55867d77d0cdaab242b862e000902851f39f9eeef3b9230fd860 +size 11771 diff --git a/train/images/molecule_399.png b/train/images/molecule_399.png new file mode 100644 index 0000000000000000000000000000000000000000..f56cd44f556f4a6d281af64d7d83d744d86595dd --- /dev/null +++ b/train/images/molecule_399.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:96eb403a64b389ad08eaea95cd91f044fd5bd819d887431e2e6ba7eb33221dcb +size 10157 diff --git a/train/images/molecule_4.png b/train/images/molecule_4.png new file mode 100644 index 0000000000000000000000000000000000000000..b2de4a21992e8dba0bc3e23bbb78faa8a1ad0d0d --- /dev/null +++ b/train/images/molecule_4.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd756e4b78ac4bbeaa4639d669d601b83e8ed8e43b9e8750d3658fdb6629906e +size 10888 diff --git a/train/images/molecule_40.png b/train/images/molecule_40.png new file mode 100644 index 0000000000000000000000000000000000000000..a11874ebdf5bdc5fe0b304baa18025cc5cf73246 --- /dev/null +++ b/train/images/molecule_40.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e3075524933cd91c78272c9851bdf3c83fd8b6f948e9cd438cf9f90c80e26468 +size 12491 diff --git a/train/images/molecule_400.png b/train/images/molecule_400.png new file mode 100644 index 0000000000000000000000000000000000000000..dfd70d595f2e48f76bb71bcd563d5b30deaf6282 --- /dev/null +++ b/train/images/molecule_400.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e9b40d002fe3df7c526d81036ac16e9183d78dec06fe6e64da47cade1a5d8e2 +size 11114 diff --git a/train/images/molecule_401.png b/train/images/molecule_401.png new file mode 100644 index 0000000000000000000000000000000000000000..0141f2ce0fc0e58a433745d77c4960153e7640fa --- /dev/null +++ b/train/images/molecule_401.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6994c9d73c291390afcec8f84562e4e0fafd5da6fe4b16d33397528401d92c82 +size 10445 diff --git a/train/images/molecule_402.png b/train/images/molecule_402.png new file mode 100644 index 0000000000000000000000000000000000000000..701454f4c27b6389e4301196a4fc2c33ca6e3309 --- /dev/null +++ b/train/images/molecule_402.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d48df1f68adc692a731abb4a511db6766db51a7a3968d98557c21b29bf9cce88 +size 9530 diff --git a/train/images/molecule_403.png b/train/images/molecule_403.png new file mode 100644 index 0000000000000000000000000000000000000000..33ca508e221255c18420da090b49f0bcf6624530 --- /dev/null +++ b/train/images/molecule_403.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d82996d8ba96323d2b7a6b4b5e3ed10f3d35813fdfc2f0e19e0a58414fd80a13 +size 9404 diff --git a/train/images/molecule_404.png b/train/images/molecule_404.png new file mode 100644 index 0000000000000000000000000000000000000000..6d5ac2717e56ddbc650fe0540eb0f0b069dfda06 --- /dev/null +++ b/train/images/molecule_404.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1f57a30cddcb06fcee6fde8c35f57425f45aaf8a18dd9923258df415c5b9059 +size 11637 diff --git a/train/images/molecule_405.png b/train/images/molecule_405.png new file mode 100644 index 0000000000000000000000000000000000000000..18d96723286657d784e8a4ded55dc8fdf2341dbc --- /dev/null +++ b/train/images/molecule_405.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bfc08a2a8058f6faa4effb1dafeed97a541a7ae96ecb1a8f44c159c59a57d693 +size 10707 diff --git a/train/images/molecule_406.png b/train/images/molecule_406.png new file mode 100644 index 0000000000000000000000000000000000000000..005a0ed971687d4c44b3d8f24cdfcbad1fad52a9 --- /dev/null +++ b/train/images/molecule_406.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d38d37adfa024aa8ee4df53984fdec63013f137feefc01606a4fe995e07f5b8 +size 10621 diff --git a/train/images/molecule_407.png b/train/images/molecule_407.png new file mode 100644 index 0000000000000000000000000000000000000000..7ce3af32c88284fad65eed38e7d2987987453a75 --- /dev/null +++ b/train/images/molecule_407.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:864ac1c960b24f2da63b61a19f941a880a2f5e867908f7a586eec67b320ff9e6 +size 13087 diff --git a/train/images/molecule_408.png b/train/images/molecule_408.png new file mode 100644 index 0000000000000000000000000000000000000000..1ced90d11348e4178a4697e5cc034b0d80fab5f5 --- /dev/null +++ b/train/images/molecule_408.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04c9808d695d91610073dfe4de307de9dd8b149b6e7d94c47ced401d1820ebb9 +size 14239 diff --git a/train/images/molecule_409.png b/train/images/molecule_409.png new file mode 100644 index 0000000000000000000000000000000000000000..cf4c0816d41c133d571283ba50e63b3f515a202b --- /dev/null +++ b/train/images/molecule_409.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b395c16e578eb9eeb19cab9ba5817fe753c494ad390beddee03de2a9b3557f61 +size 8537 diff --git a/train/images/molecule_41.png b/train/images/molecule_41.png new file mode 100644 index 0000000000000000000000000000000000000000..1b50c690f5b97602162d8307bfb9891c91033ee8 --- /dev/null +++ b/train/images/molecule_41.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:454b1f0f0e0457beb5343f7c46e05484266ab6db2020114f970d490bc9ef2719 +size 11274 diff --git a/train/images/molecule_410.png b/train/images/molecule_410.png new file mode 100644 index 0000000000000000000000000000000000000000..a223a14ae8d6e40a1f6e6c501f80d485ef5e92a3 --- /dev/null +++ b/train/images/molecule_410.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:60c77c67e892a26596377894cb9391290d2d26650b159ab34346d0aa05dc3330 +size 10005 diff --git a/train/images/molecule_411.png b/train/images/molecule_411.png new file mode 100644 index 0000000000000000000000000000000000000000..a1d4325a02d1e2ca839fce54c89c43471c9aeb0b --- /dev/null +++ b/train/images/molecule_411.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a7d396a2bac417297171a227232506081975b41505b66132c1fb20df62407f1 +size 11756 diff --git a/train/images/molecule_412.png b/train/images/molecule_412.png new file mode 100644 index 0000000000000000000000000000000000000000..319e8be72948d645cb93d2e7bce68fb1b9e94e02 --- /dev/null +++ b/train/images/molecule_412.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:507fcda4dc47c0c618b81c4507377c3bae217b9bc900362a5b2e647c112b4f1c +size 15319 diff --git a/train/images/molecule_413.png b/train/images/molecule_413.png new file mode 100644 index 0000000000000000000000000000000000000000..123fc957e92706ba64ecabcf733e0c2b99d2fb46 --- /dev/null +++ b/train/images/molecule_413.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1249743b80b892c985c2688c144525333de49fff6cfdfb5996b6b06fd05adab8 +size 14634 diff --git a/train/images/molecule_414.png b/train/images/molecule_414.png new file mode 100644 index 0000000000000000000000000000000000000000..acedc491cdfb3b29d20c9100f30a314c9d0afefb --- /dev/null +++ b/train/images/molecule_414.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73d1443b243748f7a2af1c6058d7e3197d64ab48b5ab54bad86b4aab66b21fff +size 11229 diff --git a/train/images/molecule_415.png b/train/images/molecule_415.png new file mode 100644 index 0000000000000000000000000000000000000000..2817c9687a913e8d179e1c484842ab655f820eba --- /dev/null +++ b/train/images/molecule_415.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f3e4862c62cc26c06973ef8d36bf8a10e77903711cc280cc43138942c6404e6d +size 9418 diff --git a/train/images/molecule_416.png b/train/images/molecule_416.png new file mode 100644 index 0000000000000000000000000000000000000000..7e5a24e6dc1e0b55e8453264f3d4728ed50280c0 --- /dev/null +++ b/train/images/molecule_416.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ee7566ba38ce6f64046353bd83faa18b2912e8e504e4cf801f1b6b09c497fd9 +size 12019 diff --git a/train/images/molecule_417.png b/train/images/molecule_417.png new file mode 100644 index 0000000000000000000000000000000000000000..6f978ff36c2c503892bb42584ecaa40664e6eca8 --- /dev/null +++ b/train/images/molecule_417.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3c1192b5fde5da387b0f8a964e138233a7efe50d8c3e6f95b6cbc2b177878ee2 +size 11372 diff --git a/train/images/molecule_418.png b/train/images/molecule_418.png new file mode 100644 index 0000000000000000000000000000000000000000..b89f8c0d1099db323135078d05d09e296332e2a3 --- /dev/null +++ b/train/images/molecule_418.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:824dcdf264dd905f6ef8efbb3e3102830b1c691c726cef2130058f5b6e53f035 +size 8731 diff --git a/train/images/molecule_419.png b/train/images/molecule_419.png new file mode 100644 index 0000000000000000000000000000000000000000..d5fea6b267bce9d2c44b06f91cbf0345c6333537 --- /dev/null +++ b/train/images/molecule_419.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06ddd572745df9cc536e1b155ffa6b3ac2d8cb64c4e190517cb7bf40f692337b +size 14003 diff --git a/train/images/molecule_42.png b/train/images/molecule_42.png new file mode 100644 index 0000000000000000000000000000000000000000..f456ad7a0fefa822ad13bed13b709e4e7d5fe784 --- /dev/null +++ b/train/images/molecule_42.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ca0ba12cb454a0aecaaaa00ba6e5d01ca7bbd1b93cdcfc55155a41368ed5d14 +size 8570 diff --git a/train/images/molecule_420.png b/train/images/molecule_420.png new file mode 100644 index 0000000000000000000000000000000000000000..b328ac84a4a2151b090b45442d4eb40c033f5a3e --- /dev/null +++ b/train/images/molecule_420.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ddf96035ddf0bf8aaa183b80ce55179f1b14f75e05a4fc967842d9d9f54e4a6b +size 18046 diff --git a/train/images/molecule_421.png b/train/images/molecule_421.png new file mode 100644 index 0000000000000000000000000000000000000000..a9d171cfa8c05500a6ea893d1af21d219600192f --- /dev/null +++ b/train/images/molecule_421.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3d0c7152f0aa751d9acab2d4af1b30ede6e89d8c7e1ea209be2be42b010471a2 +size 12079 diff --git a/train/images/molecule_422.png b/train/images/molecule_422.png new file mode 100644 index 0000000000000000000000000000000000000000..ae2c82afd5783f3d5a965314505ef74fca300a3b --- /dev/null +++ b/train/images/molecule_422.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:52ef1f25fed8e1596fd46fb5be13cf7472706d162a9bf1feca4083de4e271207 +size 13019 diff --git a/train/images/molecule_423.png b/train/images/molecule_423.png new file mode 100644 index 0000000000000000000000000000000000000000..38d04b984e0eafff197f8e4640037155319ec466 --- /dev/null +++ b/train/images/molecule_423.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:37151ad7f881a5ae3a35ff70827d59d55a3a846a1b1996eabd832b7192fa3477 +size 10512 diff --git a/train/images/molecule_424.png b/train/images/molecule_424.png new file mode 100644 index 0000000000000000000000000000000000000000..3cc73cda5574ed78d4a5b3979e6ea5a51314be84 --- /dev/null +++ b/train/images/molecule_424.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c545edb658f575f181775aee04eb3d9350ba7b2ce227ad0fa4aa3eaeb0c5df9 +size 14033 diff --git a/train/images/molecule_425.png b/train/images/molecule_425.png new file mode 100644 index 0000000000000000000000000000000000000000..5a97db2fe8eebdf5215d69a03c3af167d7c15c22 --- /dev/null +++ b/train/images/molecule_425.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ca147f9861922749defb5ef4a0c26c90770e4fb3ef4530eab516c6d2014c878 +size 12706 diff --git a/train/images/molecule_426.png b/train/images/molecule_426.png new file mode 100644 index 0000000000000000000000000000000000000000..8fd10bb5384bf9cdc1daeba022080d26db6eb76a --- /dev/null +++ b/train/images/molecule_426.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa0feaa2526b1dda46e2076d3446e115fff0106d64cd1bfbbb673a21aa506ce9 +size 8285 diff --git a/train/images/molecule_427.png b/train/images/molecule_427.png new file mode 100644 index 0000000000000000000000000000000000000000..ec949031edf4595ca74e83ae7da8cc8e57062719 --- /dev/null +++ b/train/images/molecule_427.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d5aebe85575b5ba490c50d353bac4041865f6df17a0311d339f223806cf31b3 +size 11779 diff --git a/train/images/molecule_428.png b/train/images/molecule_428.png new file mode 100644 index 0000000000000000000000000000000000000000..53b1d797cdc7fb95a44c674a14a6134320cd2e8f --- /dev/null +++ b/train/images/molecule_428.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6845894219672baf6bbc285d579574d5d66013e9950e0e3d5d2c2b3d4c99c94d +size 8525 diff --git a/train/images/molecule_429.png b/train/images/molecule_429.png new file mode 100644 index 0000000000000000000000000000000000000000..92e457ce59bb76eecefcd746b37308d8053bc6c2 --- /dev/null +++ b/train/images/molecule_429.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c360ba050266097ff6ec2c22bbaf7ce8474fcd5170cc11ddc8b4c136e563689 +size 10772 diff --git a/train/images/molecule_43.png b/train/images/molecule_43.png new file mode 100644 index 0000000000000000000000000000000000000000..a94c31164b0d7b9873a597ef9517f9e72690bac8 --- /dev/null +++ b/train/images/molecule_43.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cd5f9b430d97e3a0e2bf77825c14caf0c51a15c95dbd9c7f8f9978ab0ca4f724 +size 10177 diff --git a/train/images/molecule_430.png b/train/images/molecule_430.png new file mode 100644 index 0000000000000000000000000000000000000000..6f8cb7c9a22f1af8e4b36b360c269c6fdc0ab133 --- /dev/null +++ b/train/images/molecule_430.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:867d15c74fc34705e9dcebef8325468ae051fa71c1446a28f07dda8fca0a1fee +size 9090 diff --git a/train/images/molecule_431.png b/train/images/molecule_431.png new file mode 100644 index 0000000000000000000000000000000000000000..b8649729e6fbd8a8d8e27a50538db0a9cfc410a0 --- /dev/null +++ b/train/images/molecule_431.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afb3e7d2f71a46fe91faa980e6c2f0ef8423ca5bb4261f836f4953c810c0e690 +size 13768 diff --git a/train/images/molecule_432.png b/train/images/molecule_432.png new file mode 100644 index 0000000000000000000000000000000000000000..c90e5d2134cc974d4e961ab35ba909e2d1c0e2eb --- /dev/null +++ b/train/images/molecule_432.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2801ece42a3b139580df2a1a898305d30d5b6031140f316e4704de5d08855fcd +size 8410 diff --git a/train/images/molecule_433.png b/train/images/molecule_433.png new file mode 100644 index 0000000000000000000000000000000000000000..d6660922a76fff198943ff99cbb07fdc53fcaf0f --- /dev/null +++ b/train/images/molecule_433.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:826b3602a4ec2a0e53944771083b87bf352412e2ea95fc1ce5740198a5ff8757 +size 10610 diff --git a/train/images/molecule_434.png b/train/images/molecule_434.png new file mode 100644 index 0000000000000000000000000000000000000000..0b3e6ce4ed5494e637bc9ba6f1b40fbcb0aae386 --- /dev/null +++ b/train/images/molecule_434.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d0bf3d9d65c0b0ec2ab4d7f933d2148db87bd306c543ce22fd863c4c8cfd9042 +size 13510 diff --git a/train/images/molecule_435.png b/train/images/molecule_435.png new file mode 100644 index 0000000000000000000000000000000000000000..79e6f38de8c098c7c37685b046c01f85caee7c61 --- /dev/null +++ b/train/images/molecule_435.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:517a663eb2326aed747b524c8b63a35da7694c96f2cb5ac108697d6936b02ba1 +size 14499 diff --git a/train/images/molecule_436.png b/train/images/molecule_436.png new file mode 100644 index 0000000000000000000000000000000000000000..576788c9a9f2c317bf727d85b2cd0cb7f575ba22 --- /dev/null +++ b/train/images/molecule_436.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2aaeef8d6b55da2fd47693b90a2f716fcae99708dccb7d1e95f0d8268688979f +size 11539 diff --git a/train/images/molecule_437.png b/train/images/molecule_437.png new file mode 100644 index 0000000000000000000000000000000000000000..56821c05fae079c26d8cc7411a5762b033bc2c67 --- /dev/null +++ b/train/images/molecule_437.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4fc12cdbcedf6be22b94f7fd9d060a73ec8e46025c76030fb75c1f57655a1daf +size 10268 diff --git a/train/images/molecule_438.png b/train/images/molecule_438.png new file mode 100644 index 0000000000000000000000000000000000000000..0fbf73848459ec7172af300ec5ffdf3aad71a3c3 --- /dev/null +++ b/train/images/molecule_438.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f337a082982c4c84a4edf48bd7023d1b2afd44255dcfe5523b85cfde30fc61ae +size 9046 diff --git a/train/images/molecule_439.png b/train/images/molecule_439.png new file mode 100644 index 0000000000000000000000000000000000000000..c6472e0912d3f24e0227043d94355ad46bde1e23 --- /dev/null +++ b/train/images/molecule_439.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2a0ac0a94850c41bac9859a07889c5208e97503204e009c68e5814753c8cd164 +size 11289 diff --git a/train/images/molecule_44.png b/train/images/molecule_44.png new file mode 100644 index 0000000000000000000000000000000000000000..b53539fb275f6e87b666f1a34bb5890b7dd64393 --- /dev/null +++ b/train/images/molecule_44.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48eefc553ad392c4040e8bf1d2232e31c245d3a7c2e55b60916511e326ff7328 +size 9324 diff --git a/train/images/molecule_440.png b/train/images/molecule_440.png new file mode 100644 index 0000000000000000000000000000000000000000..226408945a8a7ef738237dffcd4a6f2445a6d5c8 --- /dev/null +++ b/train/images/molecule_440.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b0387ab769da1756932297137b3b922617242dd28892bf1ae9e2c3242fd3370 +size 9397 diff --git a/train/images/molecule_441.png b/train/images/molecule_441.png new file mode 100644 index 0000000000000000000000000000000000000000..121ff659b08c96f9f16457d79b43f98a3c8f25ab --- /dev/null +++ b/train/images/molecule_441.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5914fac912f4e0fa136d6810ff946312ce01bb24a4ad337f3e8a7ad1370c20c +size 8061 diff --git a/train/images/molecule_442.png b/train/images/molecule_442.png new file mode 100644 index 0000000000000000000000000000000000000000..5f28f29b431485c8a934f48919e54fd425682b70 --- /dev/null +++ b/train/images/molecule_442.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c06cd7b1601fd3f9fea609a8d7305770b77fe2108c2a3b4e979fd23477c03fe0 +size 11540 diff --git a/train/images/molecule_443.png b/train/images/molecule_443.png new file mode 100644 index 0000000000000000000000000000000000000000..07d3a211b9feb11c461096ced5688d9d0765bfbb --- /dev/null +++ b/train/images/molecule_443.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:65069c3a1db95b0e5e8fade01798f2b728a097838183933becb688f29bb250bd +size 12224 diff --git a/train/images/molecule_444.png b/train/images/molecule_444.png new file mode 100644 index 0000000000000000000000000000000000000000..dfa59c9c7d8202d931f25c39e8a92e7efc15e2e5 --- /dev/null +++ b/train/images/molecule_444.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:779fe1379b25b7b24aa7f5c36ead219a297bf853e8044afa0414d14d49d61a5e +size 14651 diff --git a/train/images/molecule_445.png b/train/images/molecule_445.png new file mode 100644 index 0000000000000000000000000000000000000000..ae48b72f8cfe22d06c0428bdd0355de361e8fe78 --- /dev/null +++ b/train/images/molecule_445.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ddc65f918a6796c44efd29d9886c16a837330eafc77f171ad8da4da3ff31f84 +size 10970 diff --git a/train/images/molecule_446.png b/train/images/molecule_446.png new file mode 100644 index 0000000000000000000000000000000000000000..0beb971c1a1fba7ea0dc0556560f8d76aafdf859 --- /dev/null +++ b/train/images/molecule_446.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf2be0cf08136523a09936ee2e050a1148f5d52299416101235e63ce9dec45b2 +size 11978 diff --git a/train/images/molecule_447.png b/train/images/molecule_447.png new file mode 100644 index 0000000000000000000000000000000000000000..a98fc7eaf0cdb8ef5beb5bf66c323c11f71adf28 --- /dev/null +++ b/train/images/molecule_447.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7964572be6adc60b11ba060dec6725434ec747f4ffa1d845b2d3c4aab686fc3a +size 10285 diff --git a/train/images/molecule_448.png b/train/images/molecule_448.png new file mode 100644 index 0000000000000000000000000000000000000000..b4f51f01c55b0fb8a7bd5b0adab5704d9edc51ca --- /dev/null +++ b/train/images/molecule_448.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1723b926aa8e9c71483e31a7c7c80e2425d70d57aa957da539628a46019ac39c +size 10222 diff --git a/train/images/molecule_449.png b/train/images/molecule_449.png new file mode 100644 index 0000000000000000000000000000000000000000..d85acd20813beddabbdf5bb9a546d3aff092147e --- /dev/null +++ b/train/images/molecule_449.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d2dd909b25f37d389129754dcb2e1aadb3819e4da7818f14e9fbeba98f444527 +size 9176 diff --git a/train/images/molecule_45.png b/train/images/molecule_45.png new file mode 100644 index 0000000000000000000000000000000000000000..ba339497cc2e62125e32ae06aaa2c8fbe30b267d --- /dev/null +++ b/train/images/molecule_45.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:100ef3faf29ceff16957e1fd7cf3c75b275dc485d88bb3a49b65fa1b3e288e0d +size 10662 diff --git a/train/images/molecule_450.png b/train/images/molecule_450.png new file mode 100644 index 0000000000000000000000000000000000000000..463448a4b9a5b3f17177261d9b3901eef206c820 --- /dev/null +++ b/train/images/molecule_450.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:beb99bff6cb3b56b74c5317b27143f4b5e33495a520e4b42969e7d2c83ceaddd +size 8826 diff --git a/train/images/molecule_451.png b/train/images/molecule_451.png new file mode 100644 index 0000000000000000000000000000000000000000..ebdc9f470ad86c7f5cd9e4e6af3f56e86bbe3327 --- /dev/null +++ b/train/images/molecule_451.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f586a9fb4e5a1fec01c1712c0fd5065ecd173084211c968c20c0c0867c4f739 +size 8638 diff --git a/train/images/molecule_452.png b/train/images/molecule_452.png new file mode 100644 index 0000000000000000000000000000000000000000..262ab6caf3bb05e8af55fc9b7a76d5ea0de67e85 --- /dev/null +++ b/train/images/molecule_452.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0074f7ba30d64ad3fb64cc0c380e7517185946c5d97fac1f25876d5fc768ce4a +size 12763 diff --git a/train/images/molecule_453.png b/train/images/molecule_453.png new file mode 100644 index 0000000000000000000000000000000000000000..acb5e60d218fa4192647de028580c2bc9203d4db --- /dev/null +++ b/train/images/molecule_453.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:486f853f5b15bb63c7d4a8fdf0082c6254f3ad697996909d5a61a8949d073fff +size 10204 diff --git a/train/images/molecule_454.png b/train/images/molecule_454.png new file mode 100644 index 0000000000000000000000000000000000000000..7aa48c6020d80f9f0e0e4f818b97c5625a88af92 --- /dev/null +++ b/train/images/molecule_454.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:df831e27ad33e37da6ebd5910f6a1d0623debb5d668f9a6f7a38ca4cacd420c2 +size 9997 diff --git a/train/images/molecule_455.png b/train/images/molecule_455.png new file mode 100644 index 0000000000000000000000000000000000000000..2808f97b35b5c5cb5de0192b65999d9296c27f6f --- /dev/null +++ b/train/images/molecule_455.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:36777176a01a2358cf15e7b20cdd89ee9343c9ec805c293624ea2372db37d742 +size 8332 diff --git a/train/images/molecule_456.png b/train/images/molecule_456.png new file mode 100644 index 0000000000000000000000000000000000000000..b53539fb275f6e87b666f1a34bb5890b7dd64393 --- /dev/null +++ b/train/images/molecule_456.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48eefc553ad392c4040e8bf1d2232e31c245d3a7c2e55b60916511e326ff7328 +size 9324 diff --git a/train/images/molecule_457.png b/train/images/molecule_457.png new file mode 100644 index 0000000000000000000000000000000000000000..b8fbe2bb1bc9577db7cd128bb4ed1683d4ab2112 --- /dev/null +++ b/train/images/molecule_457.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b612cc074a36dbcd489e47a35ea0fcf41866dfaed08f2757b946e4c0ad459571 +size 7732 diff --git a/train/images/molecule_458.png b/train/images/molecule_458.png new file mode 100644 index 0000000000000000000000000000000000000000..879bea0cfa6c0ad120c870cb63d456478bbceb77 --- /dev/null +++ b/train/images/molecule_458.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8d92618ae040344bd35da255243a351f7dd029c5a9fd2edb8dd5a1fed558f2ea +size 9684 diff --git a/train/images/molecule_459.png b/train/images/molecule_459.png new file mode 100644 index 0000000000000000000000000000000000000000..ec3b8fe90b5eccacec804f9324bacdc795a440d6 --- /dev/null +++ b/train/images/molecule_459.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a50123ccca8f7e138923a18c3e840d09e5535acaf598300683e7e2b6f4d2568d +size 10634 diff --git a/train/images/molecule_46.png b/train/images/molecule_46.png new file mode 100644 index 0000000000000000000000000000000000000000..aa8334238be3fab5fe612d661fe7e092232187fd --- /dev/null +++ b/train/images/molecule_46.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b845f95008da50b9ddfcb0e98adcd94fd6100efcf1325196e52064f02d052e89 +size 10067 diff --git a/train/images/molecule_460.png b/train/images/molecule_460.png new file mode 100644 index 0000000000000000000000000000000000000000..7a5192e66d6d9052dbe38de51dfce09643d27a33 --- /dev/null +++ b/train/images/molecule_460.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a609cef7c3e6054623432b14f581828de5adb5586a032ab51e675bf1bab8069d +size 12958 diff --git a/train/images/molecule_461.png b/train/images/molecule_461.png new file mode 100644 index 0000000000000000000000000000000000000000..18e027574c1c0dfbf4571af7d1608ce193c269d5 --- /dev/null +++ b/train/images/molecule_461.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d52069fc54a85ffebb735f7db56baf1306b19963934db06162a9fafb79d08130 +size 11421 diff --git a/train/images/molecule_462.png b/train/images/molecule_462.png new file mode 100644 index 0000000000000000000000000000000000000000..447af6bf865aec8f346a436d3fc6eadfbaa37495 --- /dev/null +++ b/train/images/molecule_462.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:582e7afc7ab9d9f3675309ce25bf288b7c7f03533a35c6aef92a4cb2f47c1f5e +size 14006 diff --git a/train/images/molecule_463.png b/train/images/molecule_463.png new file mode 100644 index 0000000000000000000000000000000000000000..cd99b9bb6ae05a5ae4bac5bc87ed176a13a4d89d --- /dev/null +++ b/train/images/molecule_463.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5862eea0256d767f80d0c7aca9197b6238085b526452b2ecb43d3a46a4800ba4 +size 12917 diff --git a/train/images/molecule_464.png b/train/images/molecule_464.png new file mode 100644 index 0000000000000000000000000000000000000000..399fa8330c62045fd1f4d3993cfbf26355049b05 --- /dev/null +++ b/train/images/molecule_464.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dba81ed942b11dd533c214b68bd99a66dff4f6fb8f2a181171658e2c821e9ab8 +size 13165 diff --git a/train/images/molecule_465.png b/train/images/molecule_465.png new file mode 100644 index 0000000000000000000000000000000000000000..9a2c277855bd7c1dd547f3b4ae4b5236149f82f0 --- /dev/null +++ b/train/images/molecule_465.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c63fba8525f55867d77d0cdaab242b862e000902851f39f9eeef3b9230fd860 +size 11771 diff --git a/train/images/molecule_466.png b/train/images/molecule_466.png new file mode 100644 index 0000000000000000000000000000000000000000..5eeaa083c134b59d92161e1fb09b2c3d2ce929d9 --- /dev/null +++ b/train/images/molecule_466.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4caa712d2e70b07b2ae74948f939a2601e1efd1b62a0c259592a7b42065f0967 +size 12640 diff --git a/train/images/molecule_467.png b/train/images/molecule_467.png new file mode 100644 index 0000000000000000000000000000000000000000..f0062be612da01bd28f4361287be733a84ff2122 --- /dev/null +++ b/train/images/molecule_467.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:469b28ed6eae70a774a41c74fc4e9cd77256a5c928b878ba22ce16abce7e51a9 +size 12245 diff --git a/train/images/molecule_468.png b/train/images/molecule_468.png new file mode 100644 index 0000000000000000000000000000000000000000..d85acd20813beddabbdf5bb9a546d3aff092147e --- /dev/null +++ b/train/images/molecule_468.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d2dd909b25f37d389129754dcb2e1aadb3819e4da7818f14e9fbeba98f444527 +size 9176 diff --git a/train/images/molecule_469.png b/train/images/molecule_469.png new file mode 100644 index 0000000000000000000000000000000000000000..6e50fbdc1e1ccd755141330e77c60c43343714c8 --- /dev/null +++ b/train/images/molecule_469.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d87511837cdcd4e59069657eec9361d40e4827e63ec5dee03278f52f5ae87dbc +size 11279 diff --git a/train/images/molecule_47.png b/train/images/molecule_47.png new file mode 100644 index 0000000000000000000000000000000000000000..0cc698a4872e3f6cabdb6d3ab94c2d4cb7c57fbc --- /dev/null +++ b/train/images/molecule_47.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:41d95211048cf372c7b80ee6ae240ba90a673e3e3a112c07b4f42a6a741e4953 +size 12013 diff --git a/train/images/molecule_470.png b/train/images/molecule_470.png new file mode 100644 index 0000000000000000000000000000000000000000..bd58b4ca9957892b5fa862cb629b8e8aae14ad8c --- /dev/null +++ b/train/images/molecule_470.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1efc99ff908d6c5cd7989407125c8529401226109483f4c0e761ab7aac3ba352 +size 9015 diff --git a/train/images/molecule_471.png b/train/images/molecule_471.png new file mode 100644 index 0000000000000000000000000000000000000000..7e58bfc73c3ade7771384486b33e550d9364ad35 --- /dev/null +++ b/train/images/molecule_471.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ddb8b57da0e7bebb01bdc90aab7a1cc2054e1a9898ecb45c310de72907523e56 +size 10635 diff --git a/train/images/molecule_472.png b/train/images/molecule_472.png new file mode 100644 index 0000000000000000000000000000000000000000..b701a3efa6f057ab309363f10563c0fd69d7b25e --- /dev/null +++ b/train/images/molecule_472.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ee1cb93b77c7ba86fc1ee68ed697054a072b87cd102d2bb83e3d7dd9005b266a +size 13776 diff --git a/train/images/molecule_473.png b/train/images/molecule_473.png new file mode 100644 index 0000000000000000000000000000000000000000..79da804ed8992f348280be3866a1db77e6a4e017 --- /dev/null +++ b/train/images/molecule_473.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8e114b21d18cda5027408cb8a990f401bee0cb32ca6a9e32efe49dbdde616620 +size 12733 diff --git a/train/images/molecule_474.png b/train/images/molecule_474.png new file mode 100644 index 0000000000000000000000000000000000000000..0cf232498d7f116e7d27f9c729611b1b2b355cf9 --- /dev/null +++ b/train/images/molecule_474.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2e4cb8ff2c14f7055c3138a8ce03a992596daacba4de2d8ad0421ba91ac6eaee +size 8484 diff --git a/train/images/molecule_475.png b/train/images/molecule_475.png new file mode 100644 index 0000000000000000000000000000000000000000..10d38abb6b14800621a0c1a5742d831c4c8be9a3 --- /dev/null +++ b/train/images/molecule_475.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c62235c7615c2f9e927e15fd50802e9ddc283de878a05c6349449fb953a48448 +size 13238 diff --git a/train/images/molecule_476.png b/train/images/molecule_476.png new file mode 100644 index 0000000000000000000000000000000000000000..51f817077a597ad8cdddd6a0f05d8e0e962817f2 --- /dev/null +++ b/train/images/molecule_476.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:beb8aedb1c9e15a74df556825daf10fb31a34e9a1a3476bb7c7a2a5cbf7c43c3 +size 10657 diff --git a/train/images/molecule_477.png b/train/images/molecule_477.png new file mode 100644 index 0000000000000000000000000000000000000000..e75a86f804f9c89722f2cbd983898efea78a1a86 --- /dev/null +++ b/train/images/molecule_477.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ef308e2395589ca66b464fe1e5ece36319be067e073ef0e8ec09ef902941881 +size 10885 diff --git a/train/images/molecule_478.png b/train/images/molecule_478.png new file mode 100644 index 0000000000000000000000000000000000000000..ad123660e751db1572ca978b3eb358fa2fd435d3 --- /dev/null +++ b/train/images/molecule_478.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:32b69a38a630c19ead644bf029d3cb3d6922bd9c08a28beee1f9d01791558c1a +size 9072 diff --git a/train/images/molecule_479.png b/train/images/molecule_479.png new file mode 100644 index 0000000000000000000000000000000000000000..eb86e3533a31fae892c7179563be9b9aa79631d9 --- /dev/null +++ b/train/images/molecule_479.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e4f8edaade586e84d3505f0803e57acee3177a06a84f6b48f6d3188f85312c0b +size 14168 diff --git a/train/images/molecule_48.png b/train/images/molecule_48.png new file mode 100644 index 0000000000000000000000000000000000000000..137ce6976772af8954df0c675acb85e7a5c7f6a9 --- /dev/null +++ b/train/images/molecule_48.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:85721dcfdaed025f8dbc68c9314332d59186b85b6dda5e9c6c8057afe681489f +size 10447 diff --git a/train/images/molecule_480.png b/train/images/molecule_480.png new file mode 100644 index 0000000000000000000000000000000000000000..2348c3b4661969d1669d6a35011e0fdea28b1ca0 --- /dev/null +++ b/train/images/molecule_480.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9aaf60f623ae30f531aa13c7e9ee33058ca08e8f2ad4d4a6b79545ca54587cb5 +size 11113 diff --git a/train/images/molecule_481.png b/train/images/molecule_481.png new file mode 100644 index 0000000000000000000000000000000000000000..bb866d45c447ccc36d728fa90e8171bd3c5120d2 --- /dev/null +++ b/train/images/molecule_481.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c32c2c0034698d8069bb2a3a386fb05e3a9832f5232808537f9149959d628ee9 +size 11783 diff --git a/train/images/molecule_482.png b/train/images/molecule_482.png new file mode 100644 index 0000000000000000000000000000000000000000..ff5322958dea3ead97d8ac202fc5c834389be2fc --- /dev/null +++ b/train/images/molecule_482.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc69849393daf0ae2615d696c052d6f5f5a07ce32d38e3869a48d4f7eb9e1510 +size 8756 diff --git a/train/images/molecule_483.png b/train/images/molecule_483.png new file mode 100644 index 0000000000000000000000000000000000000000..ee7030b07b9b956e5d88f6dc56346e2e922afcbf --- /dev/null +++ b/train/images/molecule_483.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b45e5250b24406d505c622a662ad8b8198d73d773eb1c24071cdff86dd4556cf +size 9991 diff --git a/train/images/molecule_484.png b/train/images/molecule_484.png new file mode 100644 index 0000000000000000000000000000000000000000..a1f35539b2660e9f47c30b06b6e780b613450a94 --- /dev/null +++ b/train/images/molecule_484.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:227f0ca908fddbe6605578edaf21b9eb2cb0e097c9ecaaab815c5ac14da2a5c2 +size 11814 diff --git a/train/images/molecule_485.png b/train/images/molecule_485.png new file mode 100644 index 0000000000000000000000000000000000000000..39a4c705e738722b37ff61f663ed030465108dcd --- /dev/null +++ b/train/images/molecule_485.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6143a7fc7c65bc3c579fa494ba4721adaccb1c8570299558e5fba6226173b979 +size 11997 diff --git a/train/images/molecule_486.png b/train/images/molecule_486.png new file mode 100644 index 0000000000000000000000000000000000000000..4b9777aacc90484fc303d55b017010f504593be4 --- /dev/null +++ b/train/images/molecule_486.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0609548670c30c031ff32f956a77cfe29f6fc4d0d21bc33c953ada8db165c3c4 +size 15273 diff --git a/train/images/molecule_487.png b/train/images/molecule_487.png new file mode 100644 index 0000000000000000000000000000000000000000..3bc43ce139c76fb86b347a88620c4fd404c9d135 --- /dev/null +++ b/train/images/molecule_487.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:43aacc0d1beb81cfdf941135ad6f651bacca52de7cd9d5ac66f8c28126e0ee86 +size 12345 diff --git a/train/images/molecule_488.png b/train/images/molecule_488.png new file mode 100644 index 0000000000000000000000000000000000000000..8549dfe436c8b41bae009d334cf2ef8667b7e9c9 --- /dev/null +++ b/train/images/molecule_488.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:991069f4b9b30b2e80731b326fd5f9a0cea2242222f0db5246e6c7933f37a745 +size 8626 diff --git a/train/images/molecule_489.png b/train/images/molecule_489.png new file mode 100644 index 0000000000000000000000000000000000000000..ef5f5a99472e8ace3e3c904451bf18ee5371dbd4 --- /dev/null +++ b/train/images/molecule_489.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d8628e12470f1156b84aaba62a4023c842fbc72f138ea4b3f6988e9193ccda5a +size 13926 diff --git a/train/images/molecule_49.png b/train/images/molecule_49.png new file mode 100644 index 0000000000000000000000000000000000000000..199ecfe1f1ab9a5fe5e15d9221c4e31364bc7799 --- /dev/null +++ b/train/images/molecule_49.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dccec2869781277559eae55e1ee4b4a60101fc82a6906108cdd80761f9505a9a +size 10077 diff --git a/train/images/molecule_490.png b/train/images/molecule_490.png new file mode 100644 index 0000000000000000000000000000000000000000..6f978ff36c2c503892bb42584ecaa40664e6eca8 --- /dev/null +++ b/train/images/molecule_490.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3c1192b5fde5da387b0f8a964e138233a7efe50d8c3e6f95b6cbc2b177878ee2 +size 11372 diff --git a/train/images/molecule_491.png b/train/images/molecule_491.png new file mode 100644 index 0000000000000000000000000000000000000000..2166d50b94952777e83f56d3cf74f29d142ea3b4 --- /dev/null +++ b/train/images/molecule_491.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8eedd8176e3ff87f8502c308ce65c3df577661733f525a7e89b3f85d36ee3822 +size 10770 diff --git a/train/images/molecule_492.png b/train/images/molecule_492.png new file mode 100644 index 0000000000000000000000000000000000000000..3f5c25892206f5d38903d713cd5281e7d55c382c --- /dev/null +++ b/train/images/molecule_492.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cc3c6d41b8d1cb7d619b5d25d6d32054bd212e617b962fe51f1c25d32a23b4e9 +size 10969 diff --git a/train/images/molecule_493.png b/train/images/molecule_493.png new file mode 100644 index 0000000000000000000000000000000000000000..88ae305ae661781bfae6e608c26fdaf547f46eb7 --- /dev/null +++ b/train/images/molecule_493.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5d6b8fcd0c6775d4d97741ff24ec077650a4165f91564073838bf3200a1c0cb5 +size 10779 diff --git a/train/images/molecule_494.png b/train/images/molecule_494.png new file mode 100644 index 0000000000000000000000000000000000000000..493c09b914a367a9eb384929b5106709aa716e5d --- /dev/null +++ b/train/images/molecule_494.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db09f8e5f8eff5e019e7816ef9a94ca609dcd52cc32ef5741b7d04ada837f0f7 +size 8752 diff --git a/train/images/molecule_495.png b/train/images/molecule_495.png new file mode 100644 index 0000000000000000000000000000000000000000..d85afcb31467672f7e12ec71a53b77d62fdbc9b2 --- /dev/null +++ b/train/images/molecule_495.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b0b8925d37319ce9e1aa88e26834b2989fa61b6f079e57e8138b694e8779c5b +size 11596 diff --git a/train/images/molecule_496.png b/train/images/molecule_496.png new file mode 100644 index 0000000000000000000000000000000000000000..4b13d18e4442f0d26b068475575777ccbe8d71e2 --- /dev/null +++ b/train/images/molecule_496.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e68089fb45d5ba7932b9a9af6e619d62de334f9222c31f316833ba5b59db82e1 +size 8820 diff --git a/train/images/molecule_497.png b/train/images/molecule_497.png new file mode 100644 index 0000000000000000000000000000000000000000..8877c43c54e7583787ea9204822988f5f6dbb3be --- /dev/null +++ b/train/images/molecule_497.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e2857cbe10d1bd726648cf990ac5bdf8606b86360504ecc82c3f8981e547597a +size 12520 diff --git a/train/images/molecule_498.png b/train/images/molecule_498.png new file mode 100644 index 0000000000000000000000000000000000000000..67b1102859426cc5ccd547698b963dd34fe3c75d --- /dev/null +++ b/train/images/molecule_498.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5d2a3a2e5e6fd4e35341bd3c7beca9954c52bcc1e0960a0bc8abad1adb90216 +size 12479 diff --git a/train/images/molecule_499.png b/train/images/molecule_499.png new file mode 100644 index 0000000000000000000000000000000000000000..ac42d846c1ab74bfa4b6fc0aa08de0585422bc6e --- /dev/null +++ b/train/images/molecule_499.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11678a975465311650a7650e9d273e1a57b38f245e480b35592bfd0e7e48d094 +size 8739 diff --git a/train/images/molecule_5.png b/train/images/molecule_5.png new file mode 100644 index 0000000000000000000000000000000000000000..b933f0676f1f00ca07c9a920363a0a9800ea8c9c --- /dev/null +++ b/train/images/molecule_5.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b7b065ab1a00cbf32d687fba0ee3cd686892f42e753e7ff36eb2358158e5d061 +size 10055 diff --git a/train/images/molecule_50.png b/train/images/molecule_50.png new file mode 100644 index 0000000000000000000000000000000000000000..68d1acb112b4453fcae49938d75646f9ca2890a1 --- /dev/null +++ b/train/images/molecule_50.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6976af3626fc2f002793571effe2f9f503d7a94531f0913b04bc37a6f26ad0af +size 11607 diff --git a/train/images/molecule_500.png b/train/images/molecule_500.png new file mode 100644 index 0000000000000000000000000000000000000000..8036f1950b09ebf525b0202b2cdbc447e18ef6b8 --- /dev/null +++ b/train/images/molecule_500.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19662c451dd3c5c213787ac03b2f27ae7be07da9195efda6530c047b7a694970 +size 8411 diff --git a/train/images/molecule_501.png b/train/images/molecule_501.png new file mode 100644 index 0000000000000000000000000000000000000000..9e6fba0b4074d63c1fd683c9ca1e9f0657106e6a --- /dev/null +++ b/train/images/molecule_501.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:12f695170b51440709ff54cc60d9568df06cc0dc5b92919d10f2cbcf86f460a7 +size 11855 diff --git a/train/images/molecule_502.png b/train/images/molecule_502.png new file mode 100644 index 0000000000000000000000000000000000000000..3e5922acad1764d2e4fd59bdc31e0080c55b2d38 --- /dev/null +++ b/train/images/molecule_502.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e388d321f9ab2b5a00b26bb992d9c4dea9a35461c4d1380f03381a5a786cdb9 +size 9369 diff --git a/train/images/molecule_503.png b/train/images/molecule_503.png new file mode 100644 index 0000000000000000000000000000000000000000..a6691811f14314f6ad955a0dc24b76cf3601bb5e --- /dev/null +++ b/train/images/molecule_503.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a2df0bf450e673d644cc444a887232ab01675613a855aac6412929ef2bf408c +size 11277 diff --git a/train/images/molecule_504.png b/train/images/molecule_504.png new file mode 100644 index 0000000000000000000000000000000000000000..bfc4251607119fa4d627e3051d1c3ce9888c1b5e --- /dev/null +++ b/train/images/molecule_504.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f14b954ff1406c12ca0bf708f841c73ae4d5117b628bf7d2f5370713c7d9e832 +size 10192 diff --git a/train/images/molecule_505.png b/train/images/molecule_505.png new file mode 100644 index 0000000000000000000000000000000000000000..55ae84ce32342d9c81cf889ee6cdb3fe3965eeac --- /dev/null +++ b/train/images/molecule_505.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:055d1272b7b92057b536da80e0f9fe16c803727e17f2da3573659d50da067fac +size 10119 diff --git a/train/images/molecule_506.png b/train/images/molecule_506.png new file mode 100644 index 0000000000000000000000000000000000000000..4e8dad31f9487a369842db23cac0789d57dd9437 --- /dev/null +++ b/train/images/molecule_506.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1cec013e44f2b1967b9a0ef30902e54ac66addc16d562264a93a346f1e3078b9 +size 8251 diff --git a/train/images/molecule_507.png b/train/images/molecule_507.png new file mode 100644 index 0000000000000000000000000000000000000000..5bd8e9cf6b0e46c214825cea69f56919a8052934 --- /dev/null +++ b/train/images/molecule_507.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4c4bb5686b3ecb9ec14dadba09adaec5abdbdb9a77074d95f6c88dc93ff0bd33 +size 8521 diff --git a/train/images/molecule_508.png b/train/images/molecule_508.png new file mode 100644 index 0000000000000000000000000000000000000000..551eb7de88631677f37b82096ec77c01bddf0f7b --- /dev/null +++ b/train/images/molecule_508.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:42a7eb6baf5534f57bdb1fc2d86de5918756dae500304c0b26a78541c21143df +size 14195 diff --git a/train/images/molecule_509.png b/train/images/molecule_509.png new file mode 100644 index 0000000000000000000000000000000000000000..b2de4a21992e8dba0bc3e23bbb78faa8a1ad0d0d --- /dev/null +++ b/train/images/molecule_509.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd756e4b78ac4bbeaa4639d669d601b83e8ed8e43b9e8750d3658fdb6629906e +size 10888 diff --git a/train/images/molecule_51.png b/train/images/molecule_51.png new file mode 100644 index 0000000000000000000000000000000000000000..e062a65eb2b6d3074b50eb33d4089d6da339da39 --- /dev/null +++ b/train/images/molecule_51.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4e8a67a62ef6809ee6e9bdce4d0a8a08f05e7144ef7e6b1e0525078a6a211219 +size 10007 diff --git a/train/images/molecule_510.png b/train/images/molecule_510.png new file mode 100644 index 0000000000000000000000000000000000000000..e69954c37ae372da5ee4931a86c1369862d7a32d --- /dev/null +++ b/train/images/molecule_510.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d11b4015232ed5412f271dccd7ce2a60f445aac631831e38ef448b47c76c5fc3 +size 10126 diff --git a/train/images/molecule_511.png b/train/images/molecule_511.png new file mode 100644 index 0000000000000000000000000000000000000000..a6903ca24e2f71accaf27381a317df7ee25e2370 --- /dev/null +++ b/train/images/molecule_511.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8b34c8653ae084400d6fe9824bcec6c17862e3d80827abd45420bbfabaa182d3 +size 11729 diff --git a/train/images/molecule_512.png b/train/images/molecule_512.png new file mode 100644 index 0000000000000000000000000000000000000000..7d7016aa92af5a3dfc34464c507dfced41c19c0e --- /dev/null +++ b/train/images/molecule_512.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9af8ab3cc5da4ed482eef4dd488ed97dc5535561a0261505f1cd73a2391f8a78 +size 8536 diff --git a/train/images/molecule_513.png b/train/images/molecule_513.png new file mode 100644 index 0000000000000000000000000000000000000000..5a97db2fe8eebdf5215d69a03c3af167d7c15c22 --- /dev/null +++ b/train/images/molecule_513.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ca147f9861922749defb5ef4a0c26c90770e4fb3ef4530eab516c6d2014c878 +size 12706 diff --git a/train/images/molecule_514.png b/train/images/molecule_514.png new file mode 100644 index 0000000000000000000000000000000000000000..ee0e4a1b12395abaa14675d45d3ec5df21e2ec5d --- /dev/null +++ b/train/images/molecule_514.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2700f9a6d37e1c88c21640dbb6bf2fc037d0d319aed3b0867444deb621b7b348 +size 11561 diff --git a/train/images/molecule_515.png b/train/images/molecule_515.png new file mode 100644 index 0000000000000000000000000000000000000000..29727be6190869aa44c34aff4950fdafd2aea383 --- /dev/null +++ b/train/images/molecule_515.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2364d031d58cdc30cb8f7d34e324e4854c6d8d5b5ff335b4d66317036ec6f069 +size 12072 diff --git a/train/images/molecule_516.png b/train/images/molecule_516.png new file mode 100644 index 0000000000000000000000000000000000000000..991ff418c55987d2f2bccd99cc339a8cbe1824db --- /dev/null +++ b/train/images/molecule_516.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c9e55725cee40956b2db99ccb43af1b7204e694f52aa8afc89c6201b678d2ac6 +size 11281 diff --git a/train/images/molecule_517.png b/train/images/molecule_517.png new file mode 100644 index 0000000000000000000000000000000000000000..fd269825fa659310dc43b141addfdca4c4c893b1 --- /dev/null +++ b/train/images/molecule_517.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:28d356c6b6bd4c618915999b57f34400d36a6c36d5ca0509cd65a3434b9df65b +size 8624 diff --git a/train/images/molecule_518.png b/train/images/molecule_518.png new file mode 100644 index 0000000000000000000000000000000000000000..bbecf59b30863c0cd9b18280ecdcb386e2131506 --- /dev/null +++ b/train/images/molecule_518.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91ec02d1437fb1b4d80176a002a7ab9670fec8b9c9fcb3b6f637617bfd622246 +size 9416 diff --git a/train/images/molecule_519.png b/train/images/molecule_519.png new file mode 100644 index 0000000000000000000000000000000000000000..b231fbf44019effc1754e0bd5b2a2edf8209221f --- /dev/null +++ b/train/images/molecule_519.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a1b51e7b45607f3772e5526e4bdac4526eb109af696ec078e76b982697bbbc1 +size 9718 diff --git a/train/images/molecule_52.png b/train/images/molecule_52.png new file mode 100644 index 0000000000000000000000000000000000000000..fbea40f04f5039e054dfe802ac58c29fff42dc1a --- /dev/null +++ b/train/images/molecule_52.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a1d47a12bd23957b0916fece72b9069e26dca1328ec466ae1b0f73bd3d8b2153 +size 13966 diff --git a/train/images/molecule_520.png b/train/images/molecule_520.png new file mode 100644 index 0000000000000000000000000000000000000000..50d1f19f37f5d8aee698dcd21b38d01c569df23b --- /dev/null +++ b/train/images/molecule_520.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a3400b8f646cac287a7e011681e9eecfb4eead900cb2be85645dff601331b8c +size 13461 diff --git a/train/images/molecule_521.png b/train/images/molecule_521.png new file mode 100644 index 0000000000000000000000000000000000000000..f0d0321abe587eb8d80055a83e5093624f41a109 --- /dev/null +++ b/train/images/molecule_521.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:27bd19684c718603452c5453ac8f9150fbeb4fca9b0cbecfb4243b660d29864b +size 11361 diff --git a/train/images/molecule_522.png b/train/images/molecule_522.png new file mode 100644 index 0000000000000000000000000000000000000000..10dc6d68bdac27ba4fb96186756ae136e0a94c3c --- /dev/null +++ b/train/images/molecule_522.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dfaa2fe5c2d01aeb56ad0d25d080e051c11bddca85989da26982d7b79fffa376 +size 11403 diff --git a/train/images/molecule_523.png b/train/images/molecule_523.png new file mode 100644 index 0000000000000000000000000000000000000000..1797302235024d307add40c2dcb3b21e4ec409cf --- /dev/null +++ b/train/images/molecule_523.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b110f48f4597cc1ce2f0d459ebfc72806d3a0cae0ce42faf4ffec33897ac549 +size 12712 diff --git a/train/images/molecule_524.png b/train/images/molecule_524.png new file mode 100644 index 0000000000000000000000000000000000000000..ee0e4a1b12395abaa14675d45d3ec5df21e2ec5d --- /dev/null +++ b/train/images/molecule_524.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2700f9a6d37e1c88c21640dbb6bf2fc037d0d319aed3b0867444deb621b7b348 +size 11561 diff --git a/train/images/molecule_525.png b/train/images/molecule_525.png new file mode 100644 index 0000000000000000000000000000000000000000..49ae78bac623962fd9af57bf99be125693c992f4 --- /dev/null +++ b/train/images/molecule_525.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0e2fb78f37dc14c0ce86f266468d4cdde701c456f6053247fd73458df2459ec7 +size 9309 diff --git a/train/images/molecule_526.png b/train/images/molecule_526.png new file mode 100644 index 0000000000000000000000000000000000000000..0d079d2e6ff01c6770b58a90f3a2dba59b00184f --- /dev/null +++ b/train/images/molecule_526.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0326990fa9a337c655ffc9a592ab128fb997e48c1ab755e401bf3dac6e22cda1 +size 9284 diff --git a/train/images/molecule_527.png b/train/images/molecule_527.png new file mode 100644 index 0000000000000000000000000000000000000000..03fe8a835e543765b55c924fa57e88162fe6284b --- /dev/null +++ b/train/images/molecule_527.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09c3019c9c3a06d145c3354df6631d84006df5c00c935930cd235ddedfdf2d52 +size 8990 diff --git a/train/images/molecule_528.png b/train/images/molecule_528.png new file mode 100644 index 0000000000000000000000000000000000000000..3b84fdd5c4d2d2550d3d04a6a1f52fd250ef52c4 --- /dev/null +++ b/train/images/molecule_528.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1672eaa514cea3f0a13d2a6a54597bc1f3fbb530addcc320da1cc270e9f7f43 +size 11573 diff --git a/train/images/molecule_529.png b/train/images/molecule_529.png new file mode 100644 index 0000000000000000000000000000000000000000..d066869456fce81858b41af8da4f73f0ff4952b2 --- /dev/null +++ b/train/images/molecule_529.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:39ce77d216c907af37cae11924419ed6ceda0d654880abecfa446aaa8d22cfc5 +size 10823 diff --git a/train/images/molecule_53.png b/train/images/molecule_53.png new file mode 100644 index 0000000000000000000000000000000000000000..5dea56fb31b24b8bc7204b6cab5f357149e32bd9 --- /dev/null +++ b/train/images/molecule_53.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:065507a03bf765439cebf3fd9d1e3e9d8687d169347e812f84061982a38729b1 +size 10251 diff --git a/train/images/molecule_530.png b/train/images/molecule_530.png new file mode 100644 index 0000000000000000000000000000000000000000..212acbe4f0daf0ed2292cf2de5453a68847347ea --- /dev/null +++ b/train/images/molecule_530.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a97a1c7927d33c9509c458872ee10be51a6384533fd0642a2519f6253459f8c +size 12563 diff --git a/train/images/molecule_531.png b/train/images/molecule_531.png new file mode 100644 index 0000000000000000000000000000000000000000..bb8e6ad1f6a1614d8ead522c4cc55c656015e590 --- /dev/null +++ b/train/images/molecule_531.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:82c02874be3b2cbff2af711b1c62f7ceb267540b8b3099930349fecb6fe84ec1 +size 11403 diff --git a/train/images/molecule_532.png b/train/images/molecule_532.png new file mode 100644 index 0000000000000000000000000000000000000000..3394202c550e44264fb8a5fc70ecb5fcf174c7ba --- /dev/null +++ b/train/images/molecule_532.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3a2e0ec4e46251008c6c95575f8874181bc8792e8a72dba8897f951eee47095 +size 11818 diff --git a/train/images/molecule_533.png b/train/images/molecule_533.png new file mode 100644 index 0000000000000000000000000000000000000000..9e6fba0b4074d63c1fd683c9ca1e9f0657106e6a --- /dev/null +++ b/train/images/molecule_533.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:12f695170b51440709ff54cc60d9568df06cc0dc5b92919d10f2cbcf86f460a7 +size 11855 diff --git a/train/images/molecule_534.png b/train/images/molecule_534.png new file mode 100644 index 0000000000000000000000000000000000000000..3cff5f9c4bd042464d5b9a73230dbac6e009be58 --- /dev/null +++ b/train/images/molecule_534.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:43be79c1b0be5213b9adc5a312ec465494b188b110304d2d39b8e07a5405c7c3 +size 10874 diff --git a/train/images/molecule_535.png b/train/images/molecule_535.png new file mode 100644 index 0000000000000000000000000000000000000000..53b1d797cdc7fb95a44c674a14a6134320cd2e8f --- /dev/null +++ b/train/images/molecule_535.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6845894219672baf6bbc285d579574d5d66013e9950e0e3d5d2c2b3d4c99c94d +size 8525 diff --git a/train/images/molecule_536.png b/train/images/molecule_536.png new file mode 100644 index 0000000000000000000000000000000000000000..8a0012f93db60ee3041dfd07f2e0d84b2d5b55e8 --- /dev/null +++ b/train/images/molecule_536.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1996e4c6966f041e6bed3a7af36dd2b5a4a6ad79351c059bc5a56019ffc369b7 +size 9306 diff --git a/train/images/molecule_537.png b/train/images/molecule_537.png new file mode 100644 index 0000000000000000000000000000000000000000..333a15866222528409e208ca3ea3e1c6b5cf106e --- /dev/null +++ b/train/images/molecule_537.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18a6201616cf3456d8543dff9907620596acefa0ebfdfa3cb9d3e0f66b5f981f +size 9267 diff --git a/train/images/molecule_538.png b/train/images/molecule_538.png new file mode 100644 index 0000000000000000000000000000000000000000..61ca5717cacfa96a69bd4908fb1261207b693d7a --- /dev/null +++ b/train/images/molecule_538.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c4b1607aef4aecb65fd41a39c4e28ca1195eeaa4c3af3304f104df75c5471e0 +size 13283 diff --git a/train/images/molecule_539.png b/train/images/molecule_539.png new file mode 100644 index 0000000000000000000000000000000000000000..b6b985a1325406281bd04c2424a7b240532ab28b --- /dev/null +++ b/train/images/molecule_539.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ef2fa829f947b0f9651e6ca480b32fa69051eb1ee6267e523f637d025ce5800 +size 10442 diff --git a/train/images/molecule_54.png b/train/images/molecule_54.png new file mode 100644 index 0000000000000000000000000000000000000000..ceb60d201bf4f623f0002bbc4ec3058a38f08eca --- /dev/null +++ b/train/images/molecule_54.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6082cf30f9b4db72ddf96ea86f2deee646980d46319b4db4a2abdd4f520560e2 +size 9522 diff --git a/train/images/molecule_540.png b/train/images/molecule_540.png new file mode 100644 index 0000000000000000000000000000000000000000..8a66ea457d80695c366d255fc4240278a16e35c7 --- /dev/null +++ b/train/images/molecule_540.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:431fdc2066393c09afd58b15466e47d67400aa6e8b05a79e99cf16e8050cae22 +size 10660 diff --git a/train/images/molecule_541.png b/train/images/molecule_541.png new file mode 100644 index 0000000000000000000000000000000000000000..8a0012f93db60ee3041dfd07f2e0d84b2d5b55e8 --- /dev/null +++ b/train/images/molecule_541.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1996e4c6966f041e6bed3a7af36dd2b5a4a6ad79351c059bc5a56019ffc369b7 +size 9306 diff --git a/train/images/molecule_542.png b/train/images/molecule_542.png new file mode 100644 index 0000000000000000000000000000000000000000..a11874ebdf5bdc5fe0b304baa18025cc5cf73246 --- /dev/null +++ b/train/images/molecule_542.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e3075524933cd91c78272c9851bdf3c83fd8b6f948e9cd438cf9f90c80e26468 +size 12491 diff --git a/train/images/molecule_543.png b/train/images/molecule_543.png new file mode 100644 index 0000000000000000000000000000000000000000..8a80af44005810b530ebb58b39120731f3198342 --- /dev/null +++ b/train/images/molecule_543.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:162945f14ebf1b7e97a34c2ae8aeb04c1ecd9f61d5f8a72b4dd976bd956f0c4e +size 10691 diff --git a/train/images/molecule_544.png b/train/images/molecule_544.png new file mode 100644 index 0000000000000000000000000000000000000000..a2982bc701b55bf26ebf0b5d4e2ba52e038c64c7 --- /dev/null +++ b/train/images/molecule_544.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:27ee1956dc61db8579b540de46b7a1aae102f01ecfee71dd7e859620fe055044 +size 10616 diff --git a/train/images/molecule_545.png b/train/images/molecule_545.png new file mode 100644 index 0000000000000000000000000000000000000000..f0d0321abe587eb8d80055a83e5093624f41a109 --- /dev/null +++ b/train/images/molecule_545.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:27bd19684c718603452c5453ac8f9150fbeb4fca9b0cbecfb4243b660d29864b +size 11361 diff --git a/train/images/molecule_546.png b/train/images/molecule_546.png new file mode 100644 index 0000000000000000000000000000000000000000..bd356e60b9a92ab618fcadcf3a3b11fa50455f99 --- /dev/null +++ b/train/images/molecule_546.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2be0e49559b33ed983990baac8756838dd9847755aee81e41602e72446e75f76 +size 11326 diff --git a/train/images/molecule_547.png b/train/images/molecule_547.png new file mode 100644 index 0000000000000000000000000000000000000000..7a5192e66d6d9052dbe38de51dfce09643d27a33 --- /dev/null +++ b/train/images/molecule_547.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a609cef7c3e6054623432b14f581828de5adb5586a032ab51e675bf1bab8069d +size 12958 diff --git a/train/images/molecule_548.png b/train/images/molecule_548.png new file mode 100644 index 0000000000000000000000000000000000000000..b53539fb275f6e87b666f1a34bb5890b7dd64393 --- /dev/null +++ b/train/images/molecule_548.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48eefc553ad392c4040e8bf1d2232e31c245d3a7c2e55b60916511e326ff7328 +size 9324 diff --git a/train/images/molecule_549.png b/train/images/molecule_549.png new file mode 100644 index 0000000000000000000000000000000000000000..effe66d13506ec48ecb91762abfb45f864427973 --- /dev/null +++ b/train/images/molecule_549.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5ecdb412e5cd3543719d2e95111406849dea4d9acbba8b26e37bc91fa4280be +size 10821 diff --git a/train/images/molecule_55.png b/train/images/molecule_55.png new file mode 100644 index 0000000000000000000000000000000000000000..419b028a112e04ac18471d12289d5bb922212e9a --- /dev/null +++ b/train/images/molecule_55.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a4278ab71650aad5d9f417bc6079d60da763b4ea86371df50954e3be8237a3a5 +size 10018 diff --git a/train/images/molecule_550.png b/train/images/molecule_550.png new file mode 100644 index 0000000000000000000000000000000000000000..e75bf76ad51a9170fe4ecfb70042e248ffce1fe5 --- /dev/null +++ b/train/images/molecule_550.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c8b8b03b5688f4f940f851151627551e7bf261fe28230537df1bc847116258e8 +size 6027 diff --git a/train/images/molecule_551.png b/train/images/molecule_551.png new file mode 100644 index 0000000000000000000000000000000000000000..46ddc930a5e90370c1ca56f7d19c200710f7d343 --- /dev/null +++ b/train/images/molecule_551.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ac5bbdb412996537c5429195dc5093f1cf91902c6d36e6e252bbf2a72113e16 +size 13207 diff --git a/train/images/molecule_552.png b/train/images/molecule_552.png new file mode 100644 index 0000000000000000000000000000000000000000..10d38abb6b14800621a0c1a5742d831c4c8be9a3 --- /dev/null +++ b/train/images/molecule_552.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c62235c7615c2f9e927e15fd50802e9ddc283de878a05c6349449fb953a48448 +size 13238 diff --git a/train/images/molecule_553.png b/train/images/molecule_553.png new file mode 100644 index 0000000000000000000000000000000000000000..711dfcc37b90483cbc679b31cb0907a9645a9ab2 --- /dev/null +++ b/train/images/molecule_553.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9b48f765565cc91cd56b6dba6982b216417d4c609d16e9c1627b8a02d6a97c39 +size 10054 diff --git a/train/images/molecule_554.png b/train/images/molecule_554.png new file mode 100644 index 0000000000000000000000000000000000000000..d0290ecdb29a120882fb161f0fb9a22c90d3baf2 --- /dev/null +++ b/train/images/molecule_554.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b8826bf73352239f7f529a4714e90a50055a687b4a11dc447a1d83552ab660b1 +size 13767 diff --git a/train/images/molecule_555.png b/train/images/molecule_555.png new file mode 100644 index 0000000000000000000000000000000000000000..5bf9d23046a65eea849b75d5c9ba5babc94734c1 --- /dev/null +++ b/train/images/molecule_555.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8c2e56d23ae4d31986e7ff27693460dc29aa4126ae42efbaae3a8743e74fe45 +size 9173 diff --git a/train/images/molecule_556.png b/train/images/molecule_556.png new file mode 100644 index 0000000000000000000000000000000000000000..9a6c2c4ad7675455252ffed0f637f896351805e6 --- /dev/null +++ b/train/images/molecule_556.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7dab6497e8ee0d2f9e6f3718e919f3434f8ce3fe513c09c9da3e19db2787500c +size 9861 diff --git a/train/images/molecule_557.png b/train/images/molecule_557.png new file mode 100644 index 0000000000000000000000000000000000000000..ec949031edf4595ca74e83ae7da8cc8e57062719 --- /dev/null +++ b/train/images/molecule_557.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d5aebe85575b5ba490c50d353bac4041865f6df17a0311d339f223806cf31b3 +size 11779 diff --git a/train/images/molecule_558.png b/train/images/molecule_558.png new file mode 100644 index 0000000000000000000000000000000000000000..e5d3daffe386c232ad0a8ce2df8e9f290d851887 --- /dev/null +++ b/train/images/molecule_558.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:143832d61fb5d9c406c67145ac54aaac385632cb894c74bdc630863dda892656 +size 11289 diff --git a/train/images/molecule_559.png b/train/images/molecule_559.png new file mode 100644 index 0000000000000000000000000000000000000000..5ea9c1a13acc0fe863602789fa569cc32a19eca9 --- /dev/null +++ b/train/images/molecule_559.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:99e868614b7379e794cfb6e9e9b9a680edf1a11fecfa831c12630f87e68c1da7 +size 12105 diff --git a/train/images/molecule_56.png b/train/images/molecule_56.png new file mode 100644 index 0000000000000000000000000000000000000000..7d2557e23c8ef3a945705e19ad98970be3341221 --- /dev/null +++ b/train/images/molecule_56.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62539211c297ade0c7b4ccc0ae96260e0b1c0d6f35429bc1521d3a8eb7146327 +size 11317 diff --git a/train/images/molecule_560.png b/train/images/molecule_560.png new file mode 100644 index 0000000000000000000000000000000000000000..b6d7df15149fb6d48e08ec847b402e764972ec82 --- /dev/null +++ b/train/images/molecule_560.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ffddf2ae162810c776bceb4445a69edf016a2f1907241249a5ff25c9a94c5be9 +size 9886 diff --git a/train/images/molecule_561.png b/train/images/molecule_561.png new file mode 100644 index 0000000000000000000000000000000000000000..e44254ba39642de83293e9f5f9a787c6a83121fa --- /dev/null +++ b/train/images/molecule_561.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d4d37a751d2f816fd309694fa1e52b9288cf0eb30868a22b85c0a9548f94e98b +size 12976 diff --git a/train/images/molecule_562.png b/train/images/molecule_562.png new file mode 100644 index 0000000000000000000000000000000000000000..ac42d846c1ab74bfa4b6fc0aa08de0585422bc6e --- /dev/null +++ b/train/images/molecule_562.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11678a975465311650a7650e9d273e1a57b38f245e480b35592bfd0e7e48d094 +size 8739 diff --git a/train/images/molecule_563.png b/train/images/molecule_563.png new file mode 100644 index 0000000000000000000000000000000000000000..73e6f6b30a33cb8ef43bae89cb2c0e2866496d85 --- /dev/null +++ b/train/images/molecule_563.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec28fa146a8e73f272916b9183a480cc38932bfb06a0539bc93d8185ff216c87 +size 8135 diff --git a/train/images/molecule_564.png b/train/images/molecule_564.png new file mode 100644 index 0000000000000000000000000000000000000000..8b7a5da039e9656a0c63b03ae9fa938e3b18a581 --- /dev/null +++ b/train/images/molecule_564.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7c93469dd37f47081d66b3d4e1548dcd0666d511894e4980a2f5bb820550dfcb +size 10882 diff --git a/train/images/molecule_565.png b/train/images/molecule_565.png new file mode 100644 index 0000000000000000000000000000000000000000..dd71b4cc4ccee577ae1df803c57706bc2ad856bd --- /dev/null +++ b/train/images/molecule_565.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cec54885adc9e68123ec8806e41c3a6ee93d55eb82a33bb3bca2e4a59473baec +size 8672 diff --git a/train/images/molecule_566.png b/train/images/molecule_566.png new file mode 100644 index 0000000000000000000000000000000000000000..be10ccd77fe3be4810b4793952a283f0afcdde7f --- /dev/null +++ b/train/images/molecule_566.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:384ad36a179a2f43ed98ec00d931b8849a0163d04decc442d7557675a1ae34d4 +size 8687 diff --git a/train/images/molecule_567.png b/train/images/molecule_567.png new file mode 100644 index 0000000000000000000000000000000000000000..7facd43d35705d3d41d1b49933984a13aa3601cf --- /dev/null +++ b/train/images/molecule_567.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0b3cd5c7905b00623e2be95cdddade22362dcc16098ee5982bd2e74b8e3afbe4 +size 14195 diff --git a/train/images/molecule_568.png b/train/images/molecule_568.png new file mode 100644 index 0000000000000000000000000000000000000000..fd269825fa659310dc43b141addfdca4c4c893b1 --- /dev/null +++ b/train/images/molecule_568.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:28d356c6b6bd4c618915999b57f34400d36a6c36d5ca0509cd65a3434b9df65b +size 8624 diff --git a/train/images/molecule_569.png b/train/images/molecule_569.png new file mode 100644 index 0000000000000000000000000000000000000000..e5af7d19d560492405896a050621cb74335d6380 --- /dev/null +++ b/train/images/molecule_569.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8e6a62688afd31d0422cd8c02adab07502ddb2c4e1d5ec224b243c0f9c3467ec +size 10157 diff --git a/train/images/molecule_57.png b/train/images/molecule_57.png new file mode 100644 index 0000000000000000000000000000000000000000..ed51d3f08a70567b39d2ca3cd32bdefc65a4dfe2 --- /dev/null +++ b/train/images/molecule_57.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:873da6e41e812c519ce275f8848df00637a14a8881112129011725997600de04 +size 12680 diff --git a/train/images/molecule_570.png b/train/images/molecule_570.png new file mode 100644 index 0000000000000000000000000000000000000000..499fe58104172f7642c0151ec938157c49839802 --- /dev/null +++ b/train/images/molecule_570.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:094f8fba8341689479069793e4e2c8c7042ee8320da55a5faf90e9a7448c0eb2 +size 12779 diff --git a/train/images/molecule_571.png b/train/images/molecule_571.png new file mode 100644 index 0000000000000000000000000000000000000000..fc29d39cfc527fb34e1501ec5dd1578edd76e04b --- /dev/null +++ b/train/images/molecule_571.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e46f03fb5f3d173a17148953ef7b61cbffb27c503c3b607bb960b3221ff5db0c +size 13898 diff --git a/train/images/molecule_572.png b/train/images/molecule_572.png new file mode 100644 index 0000000000000000000000000000000000000000..d66d66d2f2435a5d008e47e08ad981382b9b3447 --- /dev/null +++ b/train/images/molecule_572.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fcb1d6e457197b9f18a563e7a016a2233dee3fd60927e6256bb454c3bf2b5a99 +size 11389 diff --git a/train/images/molecule_573.png b/train/images/molecule_573.png new file mode 100644 index 0000000000000000000000000000000000000000..ff0f39f9635ceb71cde1ed5b27ef733430eee0a5 --- /dev/null +++ b/train/images/molecule_573.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bbae769cf70c84f3743bbd99ac3fd4f2551707b593c68408a181dfce7e497579 +size 11839 diff --git a/train/images/molecule_574.png b/train/images/molecule_574.png new file mode 100644 index 0000000000000000000000000000000000000000..abd4c0d7a5a20208ce03aad0a784efaa38c46214 --- /dev/null +++ b/train/images/molecule_574.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9a97e0e2515cdf57d837fae5b4d8437cea11cc8664a93a2bba3e16b8f62b22b3 +size 10734 diff --git a/train/images/molecule_575.png b/train/images/molecule_575.png new file mode 100644 index 0000000000000000000000000000000000000000..1a7dcee4bb291d02bbc1fdee6fa099c0964b66ed --- /dev/null +++ b/train/images/molecule_575.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:78d694cf08475bab0430e922491d01f137766f5dc5d1e3f4a2ee2f4bd1e844bc +size 11809 diff --git a/train/images/molecule_576.png b/train/images/molecule_576.png new file mode 100644 index 0000000000000000000000000000000000000000..31478dd0169fc34c90af766a189385161cef5b7d --- /dev/null +++ b/train/images/molecule_576.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9a55f8e361b8c797ece5ec3127fd70903984a62b4b4ef00ce622bb57996e7f5 +size 10675 diff --git a/train/images/molecule_577.png b/train/images/molecule_577.png new file mode 100644 index 0000000000000000000000000000000000000000..017defa856340680d23e793fd1ca36e65b23f562 --- /dev/null +++ b/train/images/molecule_577.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91be78a5c67d6176bb3c7561a03c37d5e504b0c4d0a59b8efe4606c39ca14a17 +size 13109 diff --git a/train/images/molecule_578.png b/train/images/molecule_578.png new file mode 100644 index 0000000000000000000000000000000000000000..d066869456fce81858b41af8da4f73f0ff4952b2 --- /dev/null +++ b/train/images/molecule_578.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:39ce77d216c907af37cae11924419ed6ceda0d654880abecfa446aaa8d22cfc5 +size 10823 diff --git a/train/images/molecule_579.png b/train/images/molecule_579.png new file mode 100644 index 0000000000000000000000000000000000000000..16f4436c2787d166641470a616494126e4711f3e --- /dev/null +++ b/train/images/molecule_579.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:177c014ac9f7590fa40e04e1d88468a4f3d2e3f113d17f44c6570cb60f07002c +size 14668 diff --git a/train/images/molecule_58.png b/train/images/molecule_58.png new file mode 100644 index 0000000000000000000000000000000000000000..1e6fe2313ad0328ad75f3bf8bd0148c4d320e967 --- /dev/null +++ b/train/images/molecule_58.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b2490bdec7cf64f2c2322487e418b6f02ef71a5a3bb54ae9c940e85324c833df +size 12748 diff --git a/train/images/molecule_580.png b/train/images/molecule_580.png new file mode 100644 index 0000000000000000000000000000000000000000..8e56be39d693cb10b2f612e80f0e953fe98a98e9 --- /dev/null +++ b/train/images/molecule_580.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7d6d7c0982bd0fc36b7bda58cf487cd26f1a57d3948060385a33e2a84320c58 +size 9454 diff --git a/train/images/molecule_581.png b/train/images/molecule_581.png new file mode 100644 index 0000000000000000000000000000000000000000..a185ad37d4df2fa53d2e437a610e36a8ef6230d6 --- /dev/null +++ b/train/images/molecule_581.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:512b14ea51176f4d48680e4f97e0cac3c1b9973b96d50a098db9942f17cbc5b4 +size 13139 diff --git a/train/images/molecule_582.png b/train/images/molecule_582.png new file mode 100644 index 0000000000000000000000000000000000000000..069375e6deaeb3e07b60461bf0dba5ea1351895b --- /dev/null +++ b/train/images/molecule_582.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:927482b171dd866fdbb270f9485183dbe8856fded6428fecb5d576d9e37c8235 +size 12367 diff --git a/train/images/molecule_583.png b/train/images/molecule_583.png new file mode 100644 index 0000000000000000000000000000000000000000..ba20ad7961bb7a7d241335608b96335e7ce77b6a --- /dev/null +++ b/train/images/molecule_583.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f2d3a4c11449b25b500ce65bcadc7d97b26d39ab961c7ca84da1efdc1f68ef17 +size 11602 diff --git a/train/images/molecule_584.png b/train/images/molecule_584.png new file mode 100644 index 0000000000000000000000000000000000000000..b7e388c074c0bee1896d927618e605c7786f985a --- /dev/null +++ b/train/images/molecule_584.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:042f99896368a7b97b1f45e91ea97d755f62870a4604292b3419338a368a5314 +size 9138 diff --git a/train/images/molecule_585.png b/train/images/molecule_585.png new file mode 100644 index 0000000000000000000000000000000000000000..c7e2671c267e0b51bb35555b5682e6b80fb4fc82 --- /dev/null +++ b/train/images/molecule_585.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a2d965b427e40fb912bf829d610c5aadeb33cca1608849aedaf9564c872d7d6 +size 11061 diff --git a/train/images/molecule_586.png b/train/images/molecule_586.png new file mode 100644 index 0000000000000000000000000000000000000000..ff1aa4367ee323380d73ce08a4962214c29e402e --- /dev/null +++ b/train/images/molecule_586.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb914c38da240d986cf598c6e6aceb8b6defe85c3d2ea79bd24964061aa545c8 +size 13708 diff --git a/train/images/molecule_587.png b/train/images/molecule_587.png new file mode 100644 index 0000000000000000000000000000000000000000..dfa59c9c7d8202d931f25c39e8a92e7efc15e2e5 --- /dev/null +++ b/train/images/molecule_587.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:779fe1379b25b7b24aa7f5c36ead219a297bf853e8044afa0414d14d49d61a5e +size 14651 diff --git a/train/images/molecule_588.png b/train/images/molecule_588.png new file mode 100644 index 0000000000000000000000000000000000000000..9d3e841dff1cb2dbb45d0ff53eb4ad95555ae5e8 --- /dev/null +++ b/train/images/molecule_588.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3f6e5ff88fd817c8a0e8b8e333a0e2a0e6c3b71c51f5da27232ce4b8367f0b28 +size 8460 diff --git a/train/images/molecule_589.png b/train/images/molecule_589.png new file mode 100644 index 0000000000000000000000000000000000000000..4f4fb31085957c05aefe63175c640b4d7ad223f3 --- /dev/null +++ b/train/images/molecule_589.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5a90c4103b7022ae411a4d256807c4c0cf18c53d751cf156f51af96183f8894 +size 11996 diff --git a/train/images/molecule_59.png b/train/images/molecule_59.png new file mode 100644 index 0000000000000000000000000000000000000000..dda7ef11dd8f2366866a033888541447413dc3d7 --- /dev/null +++ b/train/images/molecule_59.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7bd1f97582fedc2b601a6bc2ed411911710565b29361b96e8068822c2cd8c678 +size 14129 diff --git a/train/images/molecule_590.png b/train/images/molecule_590.png new file mode 100644 index 0000000000000000000000000000000000000000..395c7d321acb8dc749d500217b2a89e8ce8b2271 --- /dev/null +++ b/train/images/molecule_590.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:16fbae8001bc259d487d1f61b4150c673a13b9dce2156e5c97859f8e89aed1c0 +size 15276 diff --git a/train/images/molecule_591.png b/train/images/molecule_591.png new file mode 100644 index 0000000000000000000000000000000000000000..0b203eecc7105896940ba57590951301759fec59 --- /dev/null +++ b/train/images/molecule_591.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:63bd637a2840d392c7dc75ad68d506820bbca10f115b875129edfe21351fab8a +size 12643 diff --git a/train/images/molecule_592.png b/train/images/molecule_592.png new file mode 100644 index 0000000000000000000000000000000000000000..d2555fa0576b341823b326c0ba184815736a3f86 --- /dev/null +++ b/train/images/molecule_592.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:034261fba749c4bf2c7f86aac287193f15e7e87a87646a9c28f9b7d471ce23a9 +size 13256 diff --git a/train/images/molecule_593.png b/train/images/molecule_593.png new file mode 100644 index 0000000000000000000000000000000000000000..73e6f6b30a33cb8ef43bae89cb2c0e2866496d85 --- /dev/null +++ b/train/images/molecule_593.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec28fa146a8e73f272916b9183a480cc38932bfb06a0539bc93d8185ff216c87 +size 8135 diff --git a/train/images/molecule_594.png b/train/images/molecule_594.png new file mode 100644 index 0000000000000000000000000000000000000000..a4f854dfe2d40c72ce73c9e638abb0d5b8b7d794 --- /dev/null +++ b/train/images/molecule_594.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:57bd81fad813036ed0ebe3324affbe4eb8722e68e45cc95419323ecac06b3b64 +size 12950 diff --git a/train/images/molecule_595.png b/train/images/molecule_595.png new file mode 100644 index 0000000000000000000000000000000000000000..7a61af8cc3bcaaf8a3446772436c7772e24ac9ec --- /dev/null +++ b/train/images/molecule_595.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7db9546317cef3b11db876824ed279800ad6f3e1042dfeed3a386b0cd2bccaee +size 11813 diff --git a/train/images/molecule_596.png b/train/images/molecule_596.png new file mode 100644 index 0000000000000000000000000000000000000000..fd269825fa659310dc43b141addfdca4c4c893b1 --- /dev/null +++ b/train/images/molecule_596.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:28d356c6b6bd4c618915999b57f34400d36a6c36d5ca0509cd65a3434b9df65b +size 8624 diff --git a/train/images/molecule_597.png b/train/images/molecule_597.png new file mode 100644 index 0000000000000000000000000000000000000000..daf6ed0a8edf0cc37ea5ccca929f2fe78e505fa7 --- /dev/null +++ b/train/images/molecule_597.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f7705e621186c5f0d810363c6f2ae6f76c3db334cacdc6800d0d871a4ed1dd2f +size 10879 diff --git a/train/images/molecule_598.png b/train/images/molecule_598.png new file mode 100644 index 0000000000000000000000000000000000000000..c196ba4cb7a7b77a92e8422f48fe3dd01bb1607b --- /dev/null +++ b/train/images/molecule_598.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea74786aba74e756b29ff2195b1a20df8d69586a892f76ea7c3645a67d1e468b +size 11273 diff --git a/train/images/molecule_599.png b/train/images/molecule_599.png new file mode 100644 index 0000000000000000000000000000000000000000..ff1aa4367ee323380d73ce08a4962214c29e402e --- /dev/null +++ b/train/images/molecule_599.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb914c38da240d986cf598c6e6aceb8b6defe85c3d2ea79bd24964061aa545c8 +size 13708 diff --git a/train/images/molecule_6.png b/train/images/molecule_6.png new file mode 100644 index 0000000000000000000000000000000000000000..9d22da3ee6a67a2cf6e3015734b6781962843be3 --- /dev/null +++ b/train/images/molecule_6.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6ade5b2b4120f5f85ed98d6261ad5795b1e83d9c8694e4c7dc7cb854d2694385 +size 12537 diff --git a/train/images/molecule_60.png b/train/images/molecule_60.png new file mode 100644 index 0000000000000000000000000000000000000000..4c4141ea5aed544e29f9bafa582d40d3e8e14a84 --- /dev/null +++ b/train/images/molecule_60.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:47cf007297f6afe551cc4826096fc178d6999671c0fa083fbe70ba89b013b0e6 +size 12259 diff --git a/train/images/molecule_600.png b/train/images/molecule_600.png new file mode 100644 index 0000000000000000000000000000000000000000..ae2b83a684dbec4fca344ce0c2db35df9d4d6a7d --- /dev/null +++ b/train/images/molecule_600.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2e9e3b21c434217e57b28145de58ec2712c810d534e9b5aeb4963bedea94e9ad +size 9052 diff --git a/train/images/molecule_601.png b/train/images/molecule_601.png new file mode 100644 index 0000000000000000000000000000000000000000..d48a2bf3ae5554dd67bb8bcf5eaa4c9c6142c3ba --- /dev/null +++ b/train/images/molecule_601.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1938233d116064fb1a50c451a46b278f4b7864463014ef8375ad5217158e326 +size 11363 diff --git a/train/images/molecule_602.png b/train/images/molecule_602.png new file mode 100644 index 0000000000000000000000000000000000000000..20ce1ba934feecb398bad6b814691e4e837a6aec --- /dev/null +++ b/train/images/molecule_602.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:39ea1604193df0797c662e81a02212a7798bf1a1eaaa3b793a016d74d5827c2b +size 8913 diff --git a/train/images/molecule_603.png b/train/images/molecule_603.png new file mode 100644 index 0000000000000000000000000000000000000000..0db3fe88267ad24750e8920842a16128218e1ae4 --- /dev/null +++ b/train/images/molecule_603.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:351f312b74047fe966621a88b89f2e1f8e5222fc9985d3221d83053e46b24dc7 +size 12455 diff --git a/train/images/molecule_604.png b/train/images/molecule_604.png new file mode 100644 index 0000000000000000000000000000000000000000..a4a7f5275fde522b3dff40d3d7c98ee55e61007f --- /dev/null +++ b/train/images/molecule_604.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62a2a36bd0e38e85db4369e40fc3077558df2ccf51e936db402cf0acd13e2a87 +size 9076 diff --git a/train/images/molecule_605.png b/train/images/molecule_605.png new file mode 100644 index 0000000000000000000000000000000000000000..b2f30ecf1da73a7d295704b3220398ee9ded627f --- /dev/null +++ b/train/images/molecule_605.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:51021b39eaa8a3bb24c5771cc5a713312181a705f6e354cbcdb6d9101942461b +size 8225 diff --git a/train/images/molecule_606.png b/train/images/molecule_606.png new file mode 100644 index 0000000000000000000000000000000000000000..f96ef451adaa216fd8ccb314d0615c6c6a7f7223 --- /dev/null +++ b/train/images/molecule_606.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7abf3db81d20736e7436854ee6987bab35d56671d0de852f5eea49bf2a5cc31b +size 11178 diff --git a/train/images/molecule_607.png b/train/images/molecule_607.png new file mode 100644 index 0000000000000000000000000000000000000000..d8fb99eb1deb8f265c8798d09201c79b8d44ca72 --- /dev/null +++ b/train/images/molecule_607.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1917c02415a9a0ba72e30237cfed2b0a95f849286053dedca8373d30e081204e +size 13119 diff --git a/train/images/molecule_608.png b/train/images/molecule_608.png new file mode 100644 index 0000000000000000000000000000000000000000..aa63c7ce47a38c8a2f32b78553cb9d008f1ab470 --- /dev/null +++ b/train/images/molecule_608.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b30998cf427adc2f8c269615adba564e096f6f67a50b6b718958d29fded46a8 +size 11711 diff --git a/train/images/molecule_609.png b/train/images/molecule_609.png new file mode 100644 index 0000000000000000000000000000000000000000..cfe7214d8b7bb977a68a2ec6126b6d0f34dc7164 --- /dev/null +++ b/train/images/molecule_609.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d6f3ea3038090f83e4aa721de9b04e2079a1cd7a1078c80aed55afab3b7b8034 +size 11753 diff --git a/train/images/molecule_61.png b/train/images/molecule_61.png new file mode 100644 index 0000000000000000000000000000000000000000..1fc0fec7290ee5f95ec1572119a7eb2e60557634 --- /dev/null +++ b/train/images/molecule_61.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2492cf10a96878e0be44f894c0724138820d8f73f31eb7502f4f8469f89b5cb7 +size 10024 diff --git a/train/images/molecule_610.png b/train/images/molecule_610.png new file mode 100644 index 0000000000000000000000000000000000000000..d1f0f9f4c5afbe1429b4185c7c111b69be2a4199 --- /dev/null +++ b/train/images/molecule_610.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0d03213e3bc0517229f3f5b54cf25ff897bc86577c9f9ae6102d3fdac9d63078 +size 9858 diff --git a/train/images/molecule_611.png b/train/images/molecule_611.png new file mode 100644 index 0000000000000000000000000000000000000000..03fe8a835e543765b55c924fa57e88162fe6284b --- /dev/null +++ b/train/images/molecule_611.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09c3019c9c3a06d145c3354df6631d84006df5c00c935930cd235ddedfdf2d52 +size 8990 diff --git a/train/images/molecule_612.png b/train/images/molecule_612.png new file mode 100644 index 0000000000000000000000000000000000000000..de74cbd91bd2b5c74bfc90df54e2ffa8f1cc641f --- /dev/null +++ b/train/images/molecule_612.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bac789ee01dde0ff62c7bb933fdbd6c3381e629f15cab1e9fffc23ce32be16a5 +size 8448 diff --git a/train/images/molecule_613.png b/train/images/molecule_613.png new file mode 100644 index 0000000000000000000000000000000000000000..b19bf8e19a5199b4dc445e89383adf36eb2a96cb --- /dev/null +++ b/train/images/molecule_613.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6deba2d49d2ea988c566f293e316c01852956b3f819f4cadc8043a0a8fb70af0 +size 8846 diff --git a/train/images/molecule_614.png b/train/images/molecule_614.png new file mode 100644 index 0000000000000000000000000000000000000000..25109870032b4a0729eb7306481ee7b257eb2fd9 --- /dev/null +++ b/train/images/molecule_614.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a157221af7a8d1acdd95b5cc716a71581fa19081e38a4d9fdda5e9286bc63bd5 +size 11015 diff --git a/train/images/molecule_615.png b/train/images/molecule_615.png new file mode 100644 index 0000000000000000000000000000000000000000..c2c0158d34aa58bb93e27828aa371c365c28fd6b --- /dev/null +++ b/train/images/molecule_615.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88b8222654e8ac042e5d6e5ee52ed31679fade495cecc4f06ba50007c2d04f54 +size 12062 diff --git a/train/images/molecule_616.png b/train/images/molecule_616.png new file mode 100644 index 0000000000000000000000000000000000000000..96087254a1345a005d41c087e41e135e49c09593 --- /dev/null +++ b/train/images/molecule_616.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa5d5ce97d0e0db80b827b91cc349fd439893eef688114dbdc2467f5f1d355a4 +size 10866 diff --git a/train/images/molecule_617.png b/train/images/molecule_617.png new file mode 100644 index 0000000000000000000000000000000000000000..ff02ac0d5fc297d87f9e73b11f009297e13f5684 --- /dev/null +++ b/train/images/molecule_617.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5e4c409944d9c1ed925f7fadf6d21a6281340b48da7f14b7b67ae080ea6d111 +size 12595 diff --git a/train/images/molecule_618.png b/train/images/molecule_618.png new file mode 100644 index 0000000000000000000000000000000000000000..07dfe1241ffe5a057a58457d73cefd3978eb04c7 --- /dev/null +++ b/train/images/molecule_618.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f4186dfe36da5a46731329efbd14670ad16e74f14f1e9268fafae67f911121d0 +size 11520 diff --git a/train/images/molecule_619.png b/train/images/molecule_619.png new file mode 100644 index 0000000000000000000000000000000000000000..2a446d40fa85925e3d79d48746b5afffb84cccec --- /dev/null +++ b/train/images/molecule_619.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aba4541ccb53f5816134cb7ec98406a94760b26b5e6d36ea687f1722f8db86d9 +size 11700 diff --git a/train/images/molecule_62.png b/train/images/molecule_62.png new file mode 100644 index 0000000000000000000000000000000000000000..ceb60d201bf4f623f0002bbc4ec3058a38f08eca --- /dev/null +++ b/train/images/molecule_62.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6082cf30f9b4db72ddf96ea86f2deee646980d46319b4db4a2abdd4f520560e2 +size 9522 diff --git a/train/images/molecule_620.png b/train/images/molecule_620.png new file mode 100644 index 0000000000000000000000000000000000000000..cc29f7dba4e3ac0460f05b066257c7f923d1f9b1 --- /dev/null +++ b/train/images/molecule_620.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0cd279d8dd648cbe6e7db2bf741654595acf3aaa09c6548fbea4a07dbc9de568 +size 14175 diff --git a/train/images/molecule_621.png b/train/images/molecule_621.png new file mode 100644 index 0000000000000000000000000000000000000000..a21ec08c48aa81ff8e68dad0941c3b21cb975dc2 --- /dev/null +++ b/train/images/molecule_621.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ea12642c7fac24fd83a4e387f23ffccb113c2053f7c00566ffea87f23a3fdd10 +size 11254 diff --git a/train/images/molecule_622.png b/train/images/molecule_622.png new file mode 100644 index 0000000000000000000000000000000000000000..cdd42217e60ce7575d4b12c20d906e94fe2c80dc --- /dev/null +++ b/train/images/molecule_622.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b13c211c30511397fcaaa034b26e2cb07e577010bb6d42922bd629ac550365bb +size 8979 diff --git a/train/images/molecule_623.png b/train/images/molecule_623.png new file mode 100644 index 0000000000000000000000000000000000000000..576788c9a9f2c317bf727d85b2cd0cb7f575ba22 --- /dev/null +++ b/train/images/molecule_623.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2aaeef8d6b55da2fd47693b90a2f716fcae99708dccb7d1e95f0d8268688979f +size 11539 diff --git a/train/images/molecule_624.png b/train/images/molecule_624.png new file mode 100644 index 0000000000000000000000000000000000000000..af24e402b5c1d2ae59823fd320bd168205db0f02 --- /dev/null +++ b/train/images/molecule_624.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:687c69eb85190f10663807e96a4737c1e9942b5abe6a3d92f008adec1f922eab +size 11427 diff --git a/train/images/molecule_625.png b/train/images/molecule_625.png new file mode 100644 index 0000000000000000000000000000000000000000..50c885d5aa7fd6c34d064756ce71e74c82f2c49a --- /dev/null +++ b/train/images/molecule_625.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6560fa4f9740507bda672b2037eddf66ea6a82daafed9588210d157219f197e9 +size 12081 diff --git a/train/images/molecule_626.png b/train/images/molecule_626.png new file mode 100644 index 0000000000000000000000000000000000000000..61a32b17261f951bc432ee85dbdf41f26f81b39b --- /dev/null +++ b/train/images/molecule_626.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e1bb76dcce25c53103a06168c9ea90e5f364e4d8875a47c34f3166c22b589457 +size 9917 diff --git a/train/images/molecule_627.png b/train/images/molecule_627.png new file mode 100644 index 0000000000000000000000000000000000000000..d62de3283cd459c5f9da18e78c3948aca708f0de --- /dev/null +++ b/train/images/molecule_627.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:af37c909d0fcbcf998e6b639c687377a5d9cae5038351d96f437cf97cd33a8c3 +size 13261 diff --git a/train/images/molecule_628.png b/train/images/molecule_628.png new file mode 100644 index 0000000000000000000000000000000000000000..04be5d5f35b1ed596d2f0dc16a7fef4b277ff5bb --- /dev/null +++ b/train/images/molecule_628.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:14e9b43bfdb009f5593ae09acabaf065732d4e5da7d964638169e2ad0a5d0850 +size 13562 diff --git a/train/images/molecule_629.png b/train/images/molecule_629.png new file mode 100644 index 0000000000000000000000000000000000000000..e6448b030fe8f975d960d7600c00b2f012a979ef --- /dev/null +++ b/train/images/molecule_629.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fdde4e6dda5970f67f0c15cd7fa562fae01247c2604b0db422e5c758a8f77c38 +size 12515 diff --git a/train/images/molecule_63.png b/train/images/molecule_63.png new file mode 100644 index 0000000000000000000000000000000000000000..13fd0193c1da2e966c763aa28536030bfd35aa17 --- /dev/null +++ b/train/images/molecule_63.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:87adaa9dcc1d6ca102545e73d2131d86b37e8f31679258652efb027030d4c0a7 +size 11434 diff --git a/train/images/molecule_630.png b/train/images/molecule_630.png new file mode 100644 index 0000000000000000000000000000000000000000..2943ee2034ff4dd03cbaf96173c2c83bb2cd0da7 --- /dev/null +++ b/train/images/molecule_630.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9482a9bf740124ff2e5a82c37196d704dcecb50f356a1104ca2c6e1272f21e4c +size 10460 diff --git a/train/images/molecule_631.png b/train/images/molecule_631.png new file mode 100644 index 0000000000000000000000000000000000000000..d8b8eec73984c752094c6c5f70c63416d9a4ef28 --- /dev/null +++ b/train/images/molecule_631.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e45c2529ab65a9ed6904cb4ddcdd4df2b951ee9fc69204d95e628f058a4187be +size 9554 diff --git a/train/images/molecule_632.png b/train/images/molecule_632.png new file mode 100644 index 0000000000000000000000000000000000000000..bdee8e756b45ecc5e0fc36504d0d74a726d6b9a3 --- /dev/null +++ b/train/images/molecule_632.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:72fd40a171ff2391a709b64821cba638075a66ea86ab75bbee0f02bae911137d +size 10829 diff --git a/train/images/molecule_633.png b/train/images/molecule_633.png new file mode 100644 index 0000000000000000000000000000000000000000..71ea4996e58164b3f1ca6973f0e7b78c7780ee1c --- /dev/null +++ b/train/images/molecule_633.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c96cd5fd761dd955c058edaefac9b65ecac0a53a428956a64290419d488ace12 +size 10301 diff --git a/train/images/molecule_634.png b/train/images/molecule_634.png new file mode 100644 index 0000000000000000000000000000000000000000..8fe4dca73ff5ed1977d3b4244dbf15da994602e1 --- /dev/null +++ b/train/images/molecule_634.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb24e061d8e584a7f204e1d629ad2cced76747f55531a9652e6f321d1e55bb68 +size 11034 diff --git a/train/images/molecule_635.png b/train/images/molecule_635.png new file mode 100644 index 0000000000000000000000000000000000000000..2748e80e504d77b139f67cd44b6dba758b8cff84 --- /dev/null +++ b/train/images/molecule_635.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:10153a78174fa9d6b5382114b7ced9c4b9a90fddce6af8af22523cc2f49c83c4 +size 10225 diff --git a/train/images/molecule_636.png b/train/images/molecule_636.png new file mode 100644 index 0000000000000000000000000000000000000000..cc94f17d9c4a6ef9dc198bf5a7786ff17e2efbf6 --- /dev/null +++ b/train/images/molecule_636.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31762dfaaa0be409a72413d8285a5f458c1dd39eb5e1c94979f21fba11b8f076 +size 9033 diff --git a/train/images/molecule_637.png b/train/images/molecule_637.png new file mode 100644 index 0000000000000000000000000000000000000000..d0354f8f9406ca1971effa3c0ae4a83aaa370b52 --- /dev/null +++ b/train/images/molecule_637.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac6cefcc78fa72aff4b5074d89136685bfbd970bb3c5571624a61ab3bd1ba80a +size 11804 diff --git a/train/images/molecule_638.png b/train/images/molecule_638.png new file mode 100644 index 0000000000000000000000000000000000000000..c882ae90e9f77d78f960a0d37c90d607f3873105 --- /dev/null +++ b/train/images/molecule_638.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e675f1628c901e8f368a60cd404bd96a27f1aa0bf3b35a7bb2bc8dc464f524b6 +size 12230 diff --git a/train/images/molecule_639.png b/train/images/molecule_639.png new file mode 100644 index 0000000000000000000000000000000000000000..3c8440d210ecc32cb4083d82088f48aba8d5dedd --- /dev/null +++ b/train/images/molecule_639.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1d9a474f908712d1f920a1a408aff0e8bdb7a46405283be52a1e0ce56aecdda1 +size 8901 diff --git a/train/images/molecule_64.png b/train/images/molecule_64.png new file mode 100644 index 0000000000000000000000000000000000000000..0c81351a5b50c542dd02d620959223fb33eb8436 --- /dev/null +++ b/train/images/molecule_64.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b2662b9a82afa38c6b6d734a3a2e2958abb6f189e1c054ac8a68aeecdbdc761b +size 12108 diff --git a/train/images/molecule_640.png b/train/images/molecule_640.png new file mode 100644 index 0000000000000000000000000000000000000000..92bc70688cc5d6a71f2ffd59cadafb93e5b2f1ed --- /dev/null +++ b/train/images/molecule_640.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38d6254b4c9b33d7aa6b58f2d86de6e76856f89c0ff1e21dd5ec7d9af011ba5b +size 10344 diff --git a/train/images/molecule_641.png b/train/images/molecule_641.png new file mode 100644 index 0000000000000000000000000000000000000000..ae31cd517a7c516b5bfa2594766280f41e26fe95 --- /dev/null +++ b/train/images/molecule_641.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b42749c981b93ca55096b70d3de9a1c9345d89efbfd831cbe28fa1ed75bc9c1e +size 11379 diff --git a/train/images/molecule_642.png b/train/images/molecule_642.png new file mode 100644 index 0000000000000000000000000000000000000000..8e8cef5f6269b4ed2265b21b76061f72b51352f9 --- /dev/null +++ b/train/images/molecule_642.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:609444788d41c837e1ee5bde9f5eb9468bf9a0be11e9ebac7e4dcfb8d5007c28 +size 10078 diff --git a/train/images/molecule_643.png b/train/images/molecule_643.png new file mode 100644 index 0000000000000000000000000000000000000000..56821c05fae079c26d8cc7411a5762b033bc2c67 --- /dev/null +++ b/train/images/molecule_643.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4fc12cdbcedf6be22b94f7fd9d060a73ec8e46025c76030fb75c1f57655a1daf +size 10268 diff --git a/train/images/molecule_644.png b/train/images/molecule_644.png new file mode 100644 index 0000000000000000000000000000000000000000..d4fa82bbedd713ad037ea2086b9337e5b903dc8e --- /dev/null +++ b/train/images/molecule_644.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:263a7f3eadcfa13c4590b30bdca2aec9f82b11307b03b4a867a970b5e8e897cf +size 12855 diff --git a/train/images/molecule_645.png b/train/images/molecule_645.png new file mode 100644 index 0000000000000000000000000000000000000000..1068cbea711d57a26c6a64705539ef8dda41ec20 --- /dev/null +++ b/train/images/molecule_645.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b756bb7b3669f2419a7743480b6cdd9912468705442d394e0583ac5a4521aa3 +size 11947 diff --git a/train/images/molecule_646.png b/train/images/molecule_646.png new file mode 100644 index 0000000000000000000000000000000000000000..04963ca4a1358d7385039954153927b0b2d034ff --- /dev/null +++ b/train/images/molecule_646.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac04c46916ba079317aacc347be97fa1fb33a29e31c30a65961dad2a844d46bd +size 11762 diff --git a/train/images/molecule_647.png b/train/images/molecule_647.png new file mode 100644 index 0000000000000000000000000000000000000000..f3eac2efcb9e7805a0d5655660f9a334ad9cd14d --- /dev/null +++ b/train/images/molecule_647.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e94ff83d1f3e856056b70b1da79fb396badfc6e58e20df0ad641a5f6b81fa4b9 +size 10732 diff --git a/train/images/molecule_648.png b/train/images/molecule_648.png new file mode 100644 index 0000000000000000000000000000000000000000..4945433d989ef3b33f6a1f057265b2c491887690 --- /dev/null +++ b/train/images/molecule_648.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9d18e61b0889720c47f8c15131cd31628e8298bba1437a31e2f2ff44800c49b +size 12974 diff --git a/train/images/molecule_649.png b/train/images/molecule_649.png new file mode 100644 index 0000000000000000000000000000000000000000..22c6adfa5929f3da788d16a253270606ca680408 --- /dev/null +++ b/train/images/molecule_649.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d97f5c5f1bdc0764982b671be1af6ac8babbdf48bfe0ae182c88edaeeb78c664 +size 11323 diff --git a/train/images/molecule_65.png b/train/images/molecule_65.png new file mode 100644 index 0000000000000000000000000000000000000000..7c49af1be5b53ebf0a4f311e92c0a4039364d2e5 --- /dev/null +++ b/train/images/molecule_65.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7984279819de922996f3be4300652268c99876c65f42dc5394d948a7e4f8a708 +size 8539 diff --git a/train/images/molecule_650.png b/train/images/molecule_650.png new file mode 100644 index 0000000000000000000000000000000000000000..e92982e19db34d58dd2f52850107165dc49efd63 --- /dev/null +++ b/train/images/molecule_650.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ce129145c1ddc0a4e5a7606223546d1331b5e5eab7993ad5e55baca55b539d4f +size 11383 diff --git a/train/images/molecule_651.png b/train/images/molecule_651.png new file mode 100644 index 0000000000000000000000000000000000000000..73340c6af6e01451aa834a174cb73a9fa516d2a8 --- /dev/null +++ b/train/images/molecule_651.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8ae22b725e9809169de3eb46af61c08cc2031994df6b0dc90595c76ec77635e3 +size 12693 diff --git a/train/images/molecule_652.png b/train/images/molecule_652.png new file mode 100644 index 0000000000000000000000000000000000000000..22dc553be6c03a02efc2080409ed7d343e62a6b6 --- /dev/null +++ b/train/images/molecule_652.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cce862c81b97707a772a48edcc839219b964b575880af3337959b50277d9b112 +size 11684 diff --git a/train/images/molecule_653.png b/train/images/molecule_653.png new file mode 100644 index 0000000000000000000000000000000000000000..8030015bdf2ff2c09f74b1f6cef702587e7c36cb --- /dev/null +++ b/train/images/molecule_653.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0e3c7941c9cd4b47f0944d8152ab75f53653cb3c76c0c2693f136d44c73ae5d8 +size 10835 diff --git a/train/images/molecule_654.png b/train/images/molecule_654.png new file mode 100644 index 0000000000000000000000000000000000000000..0f49c69fda4928aa6c59e269c02f31a4a34b8743 --- /dev/null +++ b/train/images/molecule_654.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c18296bf5f09757cfe2d64394f3a20be8b83bb0bf1489f6b31604d83a72806a +size 12278 diff --git a/train/images/molecule_655.png b/train/images/molecule_655.png new file mode 100644 index 0000000000000000000000000000000000000000..261a87864ccda20b522409788d20cfbbd0b7e465 --- /dev/null +++ b/train/images/molecule_655.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4370d304d9e04068ba83efb1cfb6430b7887a9fdd035c50d690ef504a3be5c4d +size 9563 diff --git a/train/images/molecule_656.png b/train/images/molecule_656.png new file mode 100644 index 0000000000000000000000000000000000000000..ea47ab29c08c1d6a3c5c5a0497e209c34c621fcf --- /dev/null +++ b/train/images/molecule_656.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:45daab6cd2584a4cc0b883e7a0f8ba2b49e07c96d38be64166ba785a57b599b8 +size 10808 diff --git a/train/images/molecule_657.png b/train/images/molecule_657.png new file mode 100644 index 0000000000000000000000000000000000000000..0aa9230d95288b0b4d715d866281d6bfcbb4fde0 --- /dev/null +++ b/train/images/molecule_657.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ebf4712806fd7a520f5778a8f774324c40422b3fb33c26bbfbc2c8dfb2940bf5 +size 12154 diff --git a/train/images/molecule_658.png b/train/images/molecule_658.png new file mode 100644 index 0000000000000000000000000000000000000000..b4f51f01c55b0fb8a7bd5b0adab5704d9edc51ca --- /dev/null +++ b/train/images/molecule_658.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1723b926aa8e9c71483e31a7c7c80e2425d70d57aa957da539628a46019ac39c +size 10222 diff --git a/train/images/molecule_659.png b/train/images/molecule_659.png new file mode 100644 index 0000000000000000000000000000000000000000..1dc5311e454ac6c0347869504b01a8f16230f986 --- /dev/null +++ b/train/images/molecule_659.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93df3daf39142367ddb9c39ec577ba035395051be7f93c9add0f75fc4bc52c23 +size 11805 diff --git a/train/images/molecule_66.png b/train/images/molecule_66.png new file mode 100644 index 0000000000000000000000000000000000000000..a1f35539b2660e9f47c30b06b6e780b613450a94 --- /dev/null +++ b/train/images/molecule_66.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:227f0ca908fddbe6605578edaf21b9eb2cb0e097c9ecaaab815c5ac14da2a5c2 +size 11814 diff --git a/train/images/molecule_660.png b/train/images/molecule_660.png new file mode 100644 index 0000000000000000000000000000000000000000..fb2f49df1b3e4e5f1ff5f83f253b434657cb15c5 --- /dev/null +++ b/train/images/molecule_660.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:02ffc1796f1796c307367e30df09928e16d79aa40340be9f115d2b45d2156802 +size 10254 diff --git a/train/images/molecule_661.png b/train/images/molecule_661.png new file mode 100644 index 0000000000000000000000000000000000000000..e824994bf6b444cc38f5a48c91b2f04ebb713af4 --- /dev/null +++ b/train/images/molecule_661.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b3510d9b56971c38cf544f919149578f0ec64ad3645b77c83dff6dd855fb9f19 +size 8718 diff --git a/train/images/molecule_662.png b/train/images/molecule_662.png new file mode 100644 index 0000000000000000000000000000000000000000..0fbf73848459ec7172af300ec5ffdf3aad71a3c3 --- /dev/null +++ b/train/images/molecule_662.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f337a082982c4c84a4edf48bd7023d1b2afd44255dcfe5523b85cfde30fc61ae +size 9046 diff --git a/train/images/molecule_663.png b/train/images/molecule_663.png new file mode 100644 index 0000000000000000000000000000000000000000..ae0d0951afa21997ad4587b85dcf0ed03c3abb62 --- /dev/null +++ b/train/images/molecule_663.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8452dfcced1dca50be57bd2465e0ad686a0a7e8ccd767063c4bceaacccb6b1dc +size 11693 diff --git a/train/images/molecule_664.png b/train/images/molecule_664.png new file mode 100644 index 0000000000000000000000000000000000000000..d2fb74ced5753edc8c1968f89800ec091a4957a0 --- /dev/null +++ b/train/images/molecule_664.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e47826161bf6caacad612056bf3dc81ffad9f1a87a006ee6d2be1c11ff338d6 +size 12812 diff --git a/train/images/molecule_665.png b/train/images/molecule_665.png new file mode 100644 index 0000000000000000000000000000000000000000..1fc0fec7290ee5f95ec1572119a7eb2e60557634 --- /dev/null +++ b/train/images/molecule_665.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2492cf10a96878e0be44f894c0724138820d8f73f31eb7502f4f8469f89b5cb7 +size 10024 diff --git a/train/images/molecule_666.png b/train/images/molecule_666.png new file mode 100644 index 0000000000000000000000000000000000000000..218a3a36697b31d6ad614a82b5db3c679810655f --- /dev/null +++ b/train/images/molecule_666.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:36ea1facd438f16ca4e8e50444622c597fa16378a19c9a157e974cbb2ac6c696 +size 9769 diff --git a/train/images/molecule_667.png b/train/images/molecule_667.png new file mode 100644 index 0000000000000000000000000000000000000000..3a1420853772800a844e194d1abb33c0cc92322b --- /dev/null +++ b/train/images/molecule_667.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b97bb0279511f478f472231c4873d4e5167294fcde63922682a8491fa93c6d94 +size 9257 diff --git a/train/images/molecule_668.png b/train/images/molecule_668.png new file mode 100644 index 0000000000000000000000000000000000000000..a5a74d49cb14a918a2b80731ba24fdaa2403e3ae --- /dev/null +++ b/train/images/molecule_668.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c8164345910c26bdc3e8b42882362b4000b4a62ce89a601a8601b9f8111c8d28 +size 11451 diff --git a/train/images/molecule_669.png b/train/images/molecule_669.png new file mode 100644 index 0000000000000000000000000000000000000000..ca574635a2850ff5b440d2d354f1cd63e57d47a9 --- /dev/null +++ b/train/images/molecule_669.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5f5760c449118c3463d69d9a97933915e00382b9500b40cd1f13c984223c859 +size 9930 diff --git a/train/images/molecule_67.png b/train/images/molecule_67.png new file mode 100644 index 0000000000000000000000000000000000000000..cc94f17d9c4a6ef9dc198bf5a7786ff17e2efbf6 --- /dev/null +++ b/train/images/molecule_67.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31762dfaaa0be409a72413d8285a5f458c1dd39eb5e1c94979f21fba11b8f076 +size 9033 diff --git a/train/images/molecule_670.png b/train/images/molecule_670.png new file mode 100644 index 0000000000000000000000000000000000000000..6c682de3813f4e4df6cafc4665f749088a7e8747 --- /dev/null +++ b/train/images/molecule_670.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e42d328737b5137ca3707e912ab0072c8ae461dd1d686b252bd5fa7377cbe34c +size 8675 diff --git a/train/images/molecule_671.png b/train/images/molecule_671.png new file mode 100644 index 0000000000000000000000000000000000000000..a8204b91b582c7fdcd0c23398ccf49c28e429c41 --- /dev/null +++ b/train/images/molecule_671.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d521778c2463858133863182012e48dbb489da2c07c4db2b4d69282f99d5eae +size 12269 diff --git a/train/images/molecule_672.png b/train/images/molecule_672.png new file mode 100644 index 0000000000000000000000000000000000000000..eec6a73c5da80b0ae0333ce0e6f0674f5e6f4bea --- /dev/null +++ b/train/images/molecule_672.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c03f581733bef5ef73004f6c52aebd6387bf48ad801b600fb233f2dae8adf22 +size 11584 diff --git a/train/images/molecule_673.png b/train/images/molecule_673.png new file mode 100644 index 0000000000000000000000000000000000000000..9a2c277855bd7c1dd547f3b4ae4b5236149f82f0 --- /dev/null +++ b/train/images/molecule_673.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c63fba8525f55867d77d0cdaab242b862e000902851f39f9eeef3b9230fd860 +size 11771 diff --git a/train/images/molecule_674.png b/train/images/molecule_674.png new file mode 100644 index 0000000000000000000000000000000000000000..f9e58ce2a982aeea615450f94a8fe0ee6188cf94 --- /dev/null +++ b/train/images/molecule_674.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3f170f954acc6c2ce1683782023ff9141425ee32ace52c7726ecf3d339ed2434 +size 11178 diff --git a/train/images/molecule_675.png b/train/images/molecule_675.png new file mode 100644 index 0000000000000000000000000000000000000000..7c4830728b88abec3a62784f97f585bbc8068443 --- /dev/null +++ b/train/images/molecule_675.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c439ccbd3c4ec70774f861a3a678d6110087d62f2cc43fc49babf9dccaf2fbf +size 10926 diff --git a/train/images/molecule_676.png b/train/images/molecule_676.png new file mode 100644 index 0000000000000000000000000000000000000000..3236c910a93085fd1f79f5b7ec75fdb7acff2657 --- /dev/null +++ b/train/images/molecule_676.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db229ed6ceb6d0d17fc0cbe39a1bb68fb71ec163df3f7f3a5b5867570b064897 +size 12907 diff --git a/train/images/molecule_677.png b/train/images/molecule_677.png new file mode 100644 index 0000000000000000000000000000000000000000..53b1d797cdc7fb95a44c674a14a6134320cd2e8f --- /dev/null +++ b/train/images/molecule_677.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6845894219672baf6bbc285d579574d5d66013e9950e0e3d5d2c2b3d4c99c94d +size 8525 diff --git a/train/images/molecule_678.png b/train/images/molecule_678.png new file mode 100644 index 0000000000000000000000000000000000000000..a63e511bb4707ba1a347ad4e5ea821a172141b82 --- /dev/null +++ b/train/images/molecule_678.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5b7dd80159bbeb449457681a0d8194d638b9d407f4708ace120588658ccc5df0 +size 11683 diff --git a/train/images/molecule_679.png b/train/images/molecule_679.png new file mode 100644 index 0000000000000000000000000000000000000000..1c164ddac278c209ffdcee43df522ed67b1fd674 --- /dev/null +++ b/train/images/molecule_679.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:13a45e744612ee132c821b9eb31b48d6b1d1525a366696b35f9560f7303af6c2 +size 11205 diff --git a/train/images/molecule_68.png b/train/images/molecule_68.png new file mode 100644 index 0000000000000000000000000000000000000000..2662fbe1e0df39f5df7b4ba912f2e8f17a11809c --- /dev/null +++ b/train/images/molecule_68.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c43fd655bb55d64a2e346d310371e9373772244874eb8018cf0726d9b04823d0 +size 10466 diff --git a/train/images/molecule_680.png b/train/images/molecule_680.png new file mode 100644 index 0000000000000000000000000000000000000000..7a5192e66d6d9052dbe38de51dfce09643d27a33 --- /dev/null +++ b/train/images/molecule_680.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a609cef7c3e6054623432b14f581828de5adb5586a032ab51e675bf1bab8069d +size 12958 diff --git a/train/images/molecule_681.png b/train/images/molecule_681.png new file mode 100644 index 0000000000000000000000000000000000000000..b82d0611152b6e6a423e7257aed869f42d0fb7db --- /dev/null +++ b/train/images/molecule_681.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:66d82e8a76264c1e9af4d2ee9dccb309ae4c01bc5bbe9749ed5d8868537464f1 +size 8371 diff --git a/train/images/molecule_682.png b/train/images/molecule_682.png new file mode 100644 index 0000000000000000000000000000000000000000..a8446d67d8326d046acd4868d0c7818b4bb35fbc --- /dev/null +++ b/train/images/molecule_682.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1080ea8fe6d25e4ab21ca6b277d1189f7497b46216bfeb65acc29fe64caba9fb +size 9127 diff --git a/train/images/molecule_683.png b/train/images/molecule_683.png new file mode 100644 index 0000000000000000000000000000000000000000..407ac6f0211d3c97f41bc9eb710476825e942b99 --- /dev/null +++ b/train/images/molecule_683.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac85e0043b0734c638555cb43c087f3e212fad8535b1bc79cc9aa148492635df +size 12088 diff --git a/train/images/molecule_684.png b/train/images/molecule_684.png new file mode 100644 index 0000000000000000000000000000000000000000..601f0a61a5723f6e96d19986272230d9c3e88627 --- /dev/null +++ b/train/images/molecule_684.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1237ec7704f5178eb5c3d6e6788342e04c914478822321ad4736b0566ef40f68 +size 9785 diff --git a/train/images/molecule_685.png b/train/images/molecule_685.png new file mode 100644 index 0000000000000000000000000000000000000000..9cfe51f05140d336bd831323a0975f47ed9f8897 --- /dev/null +++ b/train/images/molecule_685.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6185b2642b67d58b945b7f553ed85627580d39c218c5111531ca868d13464bc6 +size 10558 diff --git a/train/images/molecule_686.png b/train/images/molecule_686.png new file mode 100644 index 0000000000000000000000000000000000000000..be614e807fee8865bf90304a7f76963c5d4ceaca --- /dev/null +++ b/train/images/molecule_686.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73308d0b82901243ec5054bc27c2306991aca3bfb4f5129e2e130f9a7d0943f1 +size 12379 diff --git a/train/images/molecule_687.png b/train/images/molecule_687.png new file mode 100644 index 0000000000000000000000000000000000000000..880711ee7eb93515a80f6fd776893be49ba08109 --- /dev/null +++ b/train/images/molecule_687.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:65427eb982fcbdb96db57cd815529fe3c4fb3089960937c42e096d6fae7ea17b +size 9185 diff --git a/train/images/molecule_688.png b/train/images/molecule_688.png new file mode 100644 index 0000000000000000000000000000000000000000..c7586b70797af244b63418bb75cd0583dd1a1f03 --- /dev/null +++ b/train/images/molecule_688.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5207be594a3983d811cdf7627bf5c18a136db8fb311e743d76606cbdb012b2d0 +size 13263 diff --git a/train/images/molecule_689.png b/train/images/molecule_689.png new file mode 100644 index 0000000000000000000000000000000000000000..dfa59c9c7d8202d931f25c39e8a92e7efc15e2e5 --- /dev/null +++ b/train/images/molecule_689.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:779fe1379b25b7b24aa7f5c36ead219a297bf853e8044afa0414d14d49d61a5e +size 14651 diff --git a/train/images/molecule_69.png b/train/images/molecule_69.png new file mode 100644 index 0000000000000000000000000000000000000000..6fc85670b792c53a810b95fa49ab88f3581bec84 --- /dev/null +++ b/train/images/molecule_69.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dc870fd3663dbfa390f2d9c880c28335c6f7fa4a9f136724131f575863b6f184 +size 12915 diff --git a/train/images/molecule_690.png b/train/images/molecule_690.png new file mode 100644 index 0000000000000000000000000000000000000000..77eed8911d3e69b334fde9c18ec4793b05f95104 --- /dev/null +++ b/train/images/molecule_690.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bf3b21aab5de56a21f72e2a7e04e311623b27c62029e234d982daa16d3854b28 +size 12392 diff --git a/train/images/molecule_691.png b/train/images/molecule_691.png new file mode 100644 index 0000000000000000000000000000000000000000..4378a34e13ad27641d02d8a2993b65e11d05eba1 --- /dev/null +++ b/train/images/molecule_691.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7cbbb997b430198fd26767baa6e930b6809ee1b09edbeb4e009f916d04627851 +size 11905 diff --git a/train/images/molecule_692.png b/train/images/molecule_692.png new file mode 100644 index 0000000000000000000000000000000000000000..5a9d0a30ab6f3ff370e54fbb567086ea6e9de658 --- /dev/null +++ b/train/images/molecule_692.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:975079fb025502af26bd5aa4d9d69f532f37704a42a2b28265c735aeec07c444 +size 7848 diff --git a/train/images/molecule_693.png b/train/images/molecule_693.png new file mode 100644 index 0000000000000000000000000000000000000000..506bf0bab6fee0ccd5927c83b1d658c5cfc9645c --- /dev/null +++ b/train/images/molecule_693.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc1192d66344a4db5cf9cb5df10f26cd57bd9b3888ac3ee5854d4d630c1e4635 +size 10709 diff --git a/train/images/molecule_694.png b/train/images/molecule_694.png new file mode 100644 index 0000000000000000000000000000000000000000..8ca17c915ae198c4b2c31e87ba668d3cb73ace06 --- /dev/null +++ b/train/images/molecule_694.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8c0ea2ef54a39ebacaef003f52b364838f154d4d8b25e8575fab86ae1fa2b702 +size 6229 diff --git a/train/images/molecule_695.png b/train/images/molecule_695.png new file mode 100644 index 0000000000000000000000000000000000000000..ad48c39b57eb0310520f5a4d97245031355edd9c --- /dev/null +++ b/train/images/molecule_695.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c66a5e04d5f5bc8542e518fc73f987c59a4d0c3a0fb94fc55db96869730ab44 +size 13907 diff --git a/train/images/molecule_696.png b/train/images/molecule_696.png new file mode 100644 index 0000000000000000000000000000000000000000..1a96645fba326098ce1cffc3184cf7d08f7e35ee --- /dev/null +++ b/train/images/molecule_696.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e1c8791be49cdef6761d680531aa1dee1aed1a9624c0a9227013aaa04892a850 +size 12143 diff --git a/train/images/molecule_697.png b/train/images/molecule_697.png new file mode 100644 index 0000000000000000000000000000000000000000..05da8ee19469ebcb2c668308c63ab21adecc39ff --- /dev/null +++ b/train/images/molecule_697.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a805295a4ccbb3c54f41c404e76176a0c607776af59d55eb234e0567b229b556 +size 12613 diff --git a/train/images/molecule_698.png b/train/images/molecule_698.png new file mode 100644 index 0000000000000000000000000000000000000000..9f49c033cfdd3201b07085aa6316de733dffc371 --- /dev/null +++ b/train/images/molecule_698.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0bccfd50f761d2727ef602d997c950f2a8a4acd12d7d5d49ac6441b6aedaa62 +size 11451 diff --git a/train/images/molecule_699.png b/train/images/molecule_699.png new file mode 100644 index 0000000000000000000000000000000000000000..d2fb74ced5753edc8c1968f89800ec091a4957a0 --- /dev/null +++ b/train/images/molecule_699.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9e47826161bf6caacad612056bf3dc81ffad9f1a87a006ee6d2be1c11ff338d6 +size 12812 diff --git a/train/images/molecule_7.png b/train/images/molecule_7.png new file mode 100644 index 0000000000000000000000000000000000000000..ff8450e45d64796780dc8a6a1839ea8312755273 --- /dev/null +++ b/train/images/molecule_7.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b77d1f8c35769d7a26764cc81c44f03328ba2a4b2b16dd35b8ac149a590c92d3 +size 9465 diff --git a/train/images/molecule_70.png b/train/images/molecule_70.png new file mode 100644 index 0000000000000000000000000000000000000000..76581108d596c447e6daef7dfab3cee5ec2f6a40 --- /dev/null +++ b/train/images/molecule_70.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a13bc3dc7c43fea6f16369d0728fa60128768a3c05901e743df1891bc00b2c28 +size 11036 diff --git a/train/images/molecule_700.png b/train/images/molecule_700.png new file mode 100644 index 0000000000000000000000000000000000000000..90531770bcba724906cfcc1542b2b2c5ae27912e --- /dev/null +++ b/train/images/molecule_700.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:53d553003708b2219287dbb681db3beb98f4d47599664dd3e4133e14142d35bd +size 13922 diff --git a/train/images/molecule_701.png b/train/images/molecule_701.png new file mode 100644 index 0000000000000000000000000000000000000000..7b52beb5eb9ecc32c865e0f53248e0c6e1a4e97f --- /dev/null +++ b/train/images/molecule_701.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3465357f6a55e489cb3b42c404d53da831ca1faa20ac4adbee4b6d11c9b442f4 +size 7805 diff --git a/train/images/molecule_702.png b/train/images/molecule_702.png new file mode 100644 index 0000000000000000000000000000000000000000..6ad2a0ef3b25cd882af8ae2cef2784ac47b07b62 --- /dev/null +++ b/train/images/molecule_702.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5df38b3da1011d68f9afd914aa3641a66ee2c3a729e10fe9231c25692daf6ac6 +size 12154 diff --git a/train/images/molecule_703.png b/train/images/molecule_703.png new file mode 100644 index 0000000000000000000000000000000000000000..59228ea4a5c285133966338284296e9031c6ce03 --- /dev/null +++ b/train/images/molecule_703.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5790d6e47a41895bf829e0f86d0253b02c251727435588f332578796e7e5ef16 +size 9072 diff --git a/train/images/molecule_704.png b/train/images/molecule_704.png new file mode 100644 index 0000000000000000000000000000000000000000..c844a2bfcc0c717e39dfe735a048d76203679de2 --- /dev/null +++ b/train/images/molecule_704.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ec2b8c2d1cc71bbe9c1301de73a10e779dd16a9e3d56776c735bf0489f63f37 +size 11561 diff --git a/train/images/molecule_705.png b/train/images/molecule_705.png new file mode 100644 index 0000000000000000000000000000000000000000..6d39085845a2d18e4d583752953816dd36763dde --- /dev/null +++ b/train/images/molecule_705.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:70afcd33674c30ff5d92827a7a4149666595d6501cf0f5abd6b39c0266f97c98 +size 14439 diff --git a/train/images/molecule_706.png b/train/images/molecule_706.png new file mode 100644 index 0000000000000000000000000000000000000000..7d2557e23c8ef3a945705e19ad98970be3341221 --- /dev/null +++ b/train/images/molecule_706.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62539211c297ade0c7b4ccc0ae96260e0b1c0d6f35429bc1521d3a8eb7146327 +size 11317 diff --git a/train/images/molecule_707.png b/train/images/molecule_707.png new file mode 100644 index 0000000000000000000000000000000000000000..c6472e0912d3f24e0227043d94355ad46bde1e23 --- /dev/null +++ b/train/images/molecule_707.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2a0ac0a94850c41bac9859a07889c5208e97503204e009c68e5814753c8cd164 +size 11289 diff --git a/train/images/molecule_708.png b/train/images/molecule_708.png new file mode 100644 index 0000000000000000000000000000000000000000..7dcbb53bd1b7de087686ebd7d9bd24d329353b4e --- /dev/null +++ b/train/images/molecule_708.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fe3262a04a7e3fe7ca18230432dea929cec6ec76571ca97cd0b916c49b2dc4fe +size 13368 diff --git a/train/images/molecule_709.png b/train/images/molecule_709.png new file mode 100644 index 0000000000000000000000000000000000000000..ee7030b07b9b956e5d88f6dc56346e2e922afcbf --- /dev/null +++ b/train/images/molecule_709.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b45e5250b24406d505c622a662ad8b8198d73d773eb1c24071cdff86dd4556cf +size 9991 diff --git a/train/images/molecule_71.png b/train/images/molecule_71.png new file mode 100644 index 0000000000000000000000000000000000000000..d530e6b71044cea9a1aa81e9c802a4fc1a9e2b6b --- /dev/null +++ b/train/images/molecule_71.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d949d6631d7b772901d110f99af21489536c97a4bb7473050967858c441d714f +size 10484 diff --git a/train/images/molecule_710.png b/train/images/molecule_710.png new file mode 100644 index 0000000000000000000000000000000000000000..2761daee116818c1d0492466636a5b61ed56d21c --- /dev/null +++ b/train/images/molecule_710.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1eb84ba131d8b5e5a971e5c9e65e5c7d01f663c75b1bd3b62cfbd0dbb43c5f7b +size 10946 diff --git a/train/images/molecule_711.png b/train/images/molecule_711.png new file mode 100644 index 0000000000000000000000000000000000000000..b9123e67546d227fb3fef756ae04f7fa18e07a1b --- /dev/null +++ b/train/images/molecule_711.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4b49a625daa9f6658e3ce1b0e4f9c2c07357ec870c4a2773656adc906f196dfe +size 9595 diff --git a/train/images/molecule_712.png b/train/images/molecule_712.png new file mode 100644 index 0000000000000000000000000000000000000000..97f4fef41f5b9e89eb0efc49e0f1b63f51f8b25c --- /dev/null +++ b/train/images/molecule_712.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a2173741a204ee552b39b415184eae151b5923155dc5ad15895e5be79fec379e +size 11487 diff --git a/train/images/molecule_713.png b/train/images/molecule_713.png new file mode 100644 index 0000000000000000000000000000000000000000..79ddd15f1baab72fbdc13fc6c96337f33acd2121 --- /dev/null +++ b/train/images/molecule_713.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:800b9bce81b12858e0355ab40d5572d1228b23140cc3f21a00e5115abf069e9a +size 13561 diff --git a/train/images/molecule_714.png b/train/images/molecule_714.png new file mode 100644 index 0000000000000000000000000000000000000000..acedc491cdfb3b29d20c9100f30a314c9d0afefb --- /dev/null +++ b/train/images/molecule_714.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73d1443b243748f7a2af1c6058d7e3197d64ab48b5ab54bad86b4aab66b21fff +size 11229 diff --git a/train/images/molecule_715.png b/train/images/molecule_715.png new file mode 100644 index 0000000000000000000000000000000000000000..61ca5717cacfa96a69bd4908fb1261207b693d7a --- /dev/null +++ b/train/images/molecule_715.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c4b1607aef4aecb65fd41a39c4e28ca1195eeaa4c3af3304f104df75c5471e0 +size 13283 diff --git a/train/images/molecule_716.png b/train/images/molecule_716.png new file mode 100644 index 0000000000000000000000000000000000000000..05da8ee19469ebcb2c668308c63ab21adecc39ff --- /dev/null +++ b/train/images/molecule_716.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a805295a4ccbb3c54f41c404e76176a0c607776af59d55eb234e0567b229b556 +size 12613 diff --git a/train/images/molecule_717.png b/train/images/molecule_717.png new file mode 100644 index 0000000000000000000000000000000000000000..db532141d68608e31ec5679e61a7b114f79c6d7c --- /dev/null +++ b/train/images/molecule_717.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:47d73c27c645fc2cb38daf489ec1a435522ca2e3c0901182780f8db89ff10e24 +size 13132 diff --git a/train/images/molecule_718.png b/train/images/molecule_718.png new file mode 100644 index 0000000000000000000000000000000000000000..4362808ac917ffa12d3f2f6a0f29cd3bc416b868 --- /dev/null +++ b/train/images/molecule_718.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c57947655b04de3c3b33cad5a65abfcd1d367eb18d75e37d27da6fb1202e260 +size 11118 diff --git a/train/images/molecule_719.png b/train/images/molecule_719.png new file mode 100644 index 0000000000000000000000000000000000000000..407ac6f0211d3c97f41bc9eb710476825e942b99 --- /dev/null +++ b/train/images/molecule_719.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac85e0043b0734c638555cb43c087f3e212fad8535b1bc79cc9aa148492635df +size 12088 diff --git a/train/images/molecule_72.png b/train/images/molecule_72.png new file mode 100644 index 0000000000000000000000000000000000000000..22dc553be6c03a02efc2080409ed7d343e62a6b6 --- /dev/null +++ b/train/images/molecule_72.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cce862c81b97707a772a48edcc839219b964b575880af3337959b50277d9b112 +size 11684 diff --git a/train/images/molecule_720.png b/train/images/molecule_720.png new file mode 100644 index 0000000000000000000000000000000000000000..ee29f27f647a822d7d4d6f36598dc53b21221102 --- /dev/null +++ b/train/images/molecule_720.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:acc772dc64d5c17ac54d7cbae83dd208afb4f45032269eb51ee9a36a964ab857 +size 9452 diff --git a/train/images/molecule_721.png b/train/images/molecule_721.png new file mode 100644 index 0000000000000000000000000000000000000000..31b88a108e4d22ae8e25ba434770ea2136dd87c4 --- /dev/null +++ b/train/images/molecule_721.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dd4ee70e59ee7404e4831ab34e7ddba38ec4b5f739eddc4d96ba9c4f89423399 +size 10752 diff --git a/train/images/molecule_722.png b/train/images/molecule_722.png new file mode 100644 index 0000000000000000000000000000000000000000..0fce12cf4f1b298022bced2143e072e8fc5ffb1b --- /dev/null +++ b/train/images/molecule_722.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f6668fcd5bd26fbb27b2d0d63b95eb5295df9b550d707d6a386bf2fd4c5974f9 +size 11978 diff --git a/train/images/molecule_723.png b/train/images/molecule_723.png new file mode 100644 index 0000000000000000000000000000000000000000..582ff4143a8e69fa40939c17ff7dd9b676b78f38 --- /dev/null +++ b/train/images/molecule_723.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e122d4effa032a46152c5dd8043c20a29b7c0a6b537bf5044edc79cc030de07 +size 8652 diff --git a/train/images/molecule_724.png b/train/images/molecule_724.png new file mode 100644 index 0000000000000000000000000000000000000000..387c296aa3219979422c0944d546001b3da9d597 --- /dev/null +++ b/train/images/molecule_724.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7fbf5060dda804d761ec245d02d03c91069e797ff73e3acd2e5a5f164a00b83c +size 12321 diff --git a/train/images/molecule_725.png b/train/images/molecule_725.png new file mode 100644 index 0000000000000000000000000000000000000000..4b8af619d9928897ba24fb90e2688e8f7456cb5b --- /dev/null +++ b/train/images/molecule_725.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b9f56e3f152f54d07194154e8cd751be5734de585dd8b1fdce4b9ca1bc6e6913 +size 10474 diff --git a/train/images/molecule_726.png b/train/images/molecule_726.png new file mode 100644 index 0000000000000000000000000000000000000000..5cbf70cdad2b9c05134a29abde808197c594f038 --- /dev/null +++ b/train/images/molecule_726.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac5642971b6d7fbc4178357768a28b1890b768eeadb5c853a808baf9381c9d23 +size 12803 diff --git a/train/images/molecule_727.png b/train/images/molecule_727.png new file mode 100644 index 0000000000000000000000000000000000000000..de0c429feae836519553ec89bcc387138a7847c4 --- /dev/null +++ b/train/images/molecule_727.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:df6edf1e7e3f836e8422758f8f46f6a9f4d8853c0c1e9ab424188413d95f6dfc +size 12622 diff --git a/train/images/molecule_728.png b/train/images/molecule_728.png new file mode 100644 index 0000000000000000000000000000000000000000..ba464b43aef127ae10c8b538f7059c782b319e7b --- /dev/null +++ b/train/images/molecule_728.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6715bc94c47d67b2b0c8bd927d1b85e3330a6bd3597dd6abafb22c3f0f2ee9f0 +size 10724 diff --git a/train/images/molecule_729.png b/train/images/molecule_729.png new file mode 100644 index 0000000000000000000000000000000000000000..ebdc9f470ad86c7f5cd9e4e6af3f56e86bbe3327 --- /dev/null +++ b/train/images/molecule_729.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f586a9fb4e5a1fec01c1712c0fd5065ecd173084211c968c20c0c0867c4f739 +size 8638 diff --git a/train/images/molecule_73.png b/train/images/molecule_73.png new file mode 100644 index 0000000000000000000000000000000000000000..5b08654680badf9873c0b3180d3beecab1f978b7 --- /dev/null +++ b/train/images/molecule_73.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd6f8bc44e26808f99d03874ddf251cbad811dcf0ab99884af951bd40ade407a +size 12128 diff --git a/train/images/molecule_730.png b/train/images/molecule_730.png new file mode 100644 index 0000000000000000000000000000000000000000..317c8b5781161b432e25108dfc33340a08a4c2e9 --- /dev/null +++ b/train/images/molecule_730.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bee6a2c18a99ff5556d62ed19c1f842a1ca94bcd55134c0d35d998145a05cc9d +size 10793 diff --git a/train/images/molecule_731.png b/train/images/molecule_731.png new file mode 100644 index 0000000000000000000000000000000000000000..c2cab82dc5c21553acf499937ddbdacf8fa540ef --- /dev/null +++ b/train/images/molecule_731.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d60bb9a50f0bec358ff6b4274e1d7aa857cbc5d19e440f2c368ccc52dd0c80ff +size 8507 diff --git a/train/images/molecule_732.png b/train/images/molecule_732.png new file mode 100644 index 0000000000000000000000000000000000000000..52f28569bed918ffb30f7bfb198d5fc657d692cf --- /dev/null +++ b/train/images/molecule_732.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5e23b45e75688e3e7c137458455ada3f5640ccfc1fa70074b5aab2a61da7ca7 +size 12076 diff --git a/train/images/molecule_733.png b/train/images/molecule_733.png new file mode 100644 index 0000000000000000000000000000000000000000..42577f42cf90e7cec633aacfd252a5f4e18fdc10 --- /dev/null +++ b/train/images/molecule_733.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:590acd2e0f09a33425796f27e4d8db47b071e8c9b6b30909a8472f211ce0682d +size 8557 diff --git a/train/images/molecule_734.png b/train/images/molecule_734.png new file mode 100644 index 0000000000000000000000000000000000000000..4b13d18e4442f0d26b068475575777ccbe8d71e2 --- /dev/null +++ b/train/images/molecule_734.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e68089fb45d5ba7932b9a9af6e619d62de334f9222c31f316833ba5b59db82e1 +size 8820 diff --git a/train/images/molecule_735.png b/train/images/molecule_735.png new file mode 100644 index 0000000000000000000000000000000000000000..c8232d0972f51542dcba7511402e3b8dbe535f6f --- /dev/null +++ b/train/images/molecule_735.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0e4a96404b25b03d10692ce403c1887a0201d9e97fe4fcec35dfc28f4671dff +size 10099 diff --git a/train/images/molecule_736.png b/train/images/molecule_736.png new file mode 100644 index 0000000000000000000000000000000000000000..8c9a2fe59905c96b12c588d8b542606f711b3beb --- /dev/null +++ b/train/images/molecule_736.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f32475e082e2916730d19faf8ff44750e7725f33f6ddee6eca035b968ba71bb3 +size 12236 diff --git a/train/images/molecule_737.png b/train/images/molecule_737.png new file mode 100644 index 0000000000000000000000000000000000000000..4085f9cc3111a3e8539b65415a94c0ae3bb3ad34 --- /dev/null +++ b/train/images/molecule_737.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:de141f6d32871c2f9f12654f3b1b4641acc4fbdf3482cf86155b8146c43d6993 +size 14416 diff --git a/train/images/molecule_738.png b/train/images/molecule_738.png new file mode 100644 index 0000000000000000000000000000000000000000..58c8469c52c8f3f9a97adb1212ed4f4b10883e48 --- /dev/null +++ b/train/images/molecule_738.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:571922f88facf882dca2838b5616ecfc81e5de5a983d3025b39cfff0d4e684f4 +size 14282 diff --git a/train/images/molecule_739.png b/train/images/molecule_739.png new file mode 100644 index 0000000000000000000000000000000000000000..194295d333fb32d957c93b8288696c2c5681f659 --- /dev/null +++ b/train/images/molecule_739.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3015e9d4382bd2fdb1bd8904e8a7f398d1be665c1043341693dcce4cf20aec03 +size 9319 diff --git a/train/images/molecule_74.png b/train/images/molecule_74.png new file mode 100644 index 0000000000000000000000000000000000000000..c19d9ffbeb662e92e1a3f6e01ec239873e8f990d --- /dev/null +++ b/train/images/molecule_74.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e700c2462484ba6d4c8a97fc391d8c464de258b91ecf689ec1a0ef7d8e608c5c +size 11218 diff --git a/train/images/molecule_740.png b/train/images/molecule_740.png new file mode 100644 index 0000000000000000000000000000000000000000..8a66ea457d80695c366d255fc4240278a16e35c7 --- /dev/null +++ b/train/images/molecule_740.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:431fdc2066393c09afd58b15466e47d67400aa6e8b05a79e99cf16e8050cae22 +size 10660 diff --git a/train/images/molecule_741.png b/train/images/molecule_741.png new file mode 100644 index 0000000000000000000000000000000000000000..3e9a601149228c5ce963ed37bc5b62a975e02af6 --- /dev/null +++ b/train/images/molecule_741.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6a9a02b35a4ccbb32342bdb439e8207a43640d77f35782bcf8c8ecf68a42e58b +size 11851 diff --git a/train/images/molecule_742.png b/train/images/molecule_742.png new file mode 100644 index 0000000000000000000000000000000000000000..30c96377245e55510746a1edb3457ba76cdc25b7 --- /dev/null +++ b/train/images/molecule_742.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8380bfe03f7371c8ac07975cfb0db85c9b57162dc2bfd0382ff6e1e9ec59dd0b +size 12284 diff --git a/train/images/molecule_743.png b/train/images/molecule_743.png new file mode 100644 index 0000000000000000000000000000000000000000..36a0b247be00126548c85ef9e40189430ebd3004 --- /dev/null +++ b/train/images/molecule_743.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62b394d10faafddb640e630d093ecfddcebb1e84acdd9e1c7ccc6edc28f571f5 +size 8435 diff --git a/train/images/molecule_744.png b/train/images/molecule_744.png new file mode 100644 index 0000000000000000000000000000000000000000..5eeaa083c134b59d92161e1fb09b2c3d2ce929d9 --- /dev/null +++ b/train/images/molecule_744.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4caa712d2e70b07b2ae74948f939a2601e1efd1b62a0c259592a7b42065f0967 +size 12640 diff --git a/train/images/molecule_745.png b/train/images/molecule_745.png new file mode 100644 index 0000000000000000000000000000000000000000..5bd55a88a7413aae4873f7cf167a7e0b9560198f --- /dev/null +++ b/train/images/molecule_745.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a615872825a3ea1a5d87987159def64e351bef79094f9da55b027ce18e6ff45e +size 9751 diff --git a/train/images/molecule_746.png b/train/images/molecule_746.png new file mode 100644 index 0000000000000000000000000000000000000000..a6691811f14314f6ad955a0dc24b76cf3601bb5e --- /dev/null +++ b/train/images/molecule_746.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a2df0bf450e673d644cc444a887232ab01675613a855aac6412929ef2bf408c +size 11277 diff --git a/train/images/molecule_747.png b/train/images/molecule_747.png new file mode 100644 index 0000000000000000000000000000000000000000..f47ddcf0bd97d4640479b96f45e622543a580ef6 --- /dev/null +++ b/train/images/molecule_747.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8fea49f260dba5bc459ca5cf1336f7223e5c01048a97dc5dc144e6001aae153 +size 11008 diff --git a/train/images/molecule_748.png b/train/images/molecule_748.png new file mode 100644 index 0000000000000000000000000000000000000000..7d2557e23c8ef3a945705e19ad98970be3341221 --- /dev/null +++ b/train/images/molecule_748.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62539211c297ade0c7b4ccc0ae96260e0b1c0d6f35429bc1521d3a8eb7146327 +size 11317 diff --git a/train/images/molecule_749.png b/train/images/molecule_749.png new file mode 100644 index 0000000000000000000000000000000000000000..b1b7db9cf0db05294766e916f7450c47ab0d31a2 --- /dev/null +++ b/train/images/molecule_749.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:decaf6af57efd7f4ef3f7b977159e7710e044a2e889c87738212eae6f4d8fea7 +size 11032 diff --git a/train/images/molecule_75.png b/train/images/molecule_75.png new file mode 100644 index 0000000000000000000000000000000000000000..187bae2e9484a1361b4f826d0ccd72c69f3c3342 --- /dev/null +++ b/train/images/molecule_75.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:29955d9827fab13288a1cc2c0f73ea9555e7ccf0655431d985e02ba270a27b5d +size 14350 diff --git a/train/images/molecule_750.png b/train/images/molecule_750.png new file mode 100644 index 0000000000000000000000000000000000000000..d59a327e4bb183468b04f399e8cf981d6b46896a --- /dev/null +++ b/train/images/molecule_750.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f2f7fefa81463eb431a5448ac76a3747c5ac8ce6ab71efd485c75495e6a6de63 +size 11271 diff --git a/train/images/molecule_751.png b/train/images/molecule_751.png new file mode 100644 index 0000000000000000000000000000000000000000..419b028a112e04ac18471d12289d5bb922212e9a --- /dev/null +++ b/train/images/molecule_751.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a4278ab71650aad5d9f417bc6079d60da763b4ea86371df50954e3be8237a3a5 +size 10018 diff --git a/train/images/molecule_752.png b/train/images/molecule_752.png new file mode 100644 index 0000000000000000000000000000000000000000..ca5ea064e84078b0769e8eac31deda9155259864 --- /dev/null +++ b/train/images/molecule_752.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d8a9b7fb1288d0d1f6461f93fdbfb0c92139f93db5f21a9fe116741a63950b73 +size 9512 diff --git a/train/images/molecule_753.png b/train/images/molecule_753.png new file mode 100644 index 0000000000000000000000000000000000000000..9ac833e9e8e2115cd0a8901950714785fd6ea0a7 --- /dev/null +++ b/train/images/molecule_753.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec5a4c02ae77f315c31ff417c5ceb00437327ee7a137cd9627c0f4b5a39d6e53 +size 8856 diff --git a/train/images/molecule_754.png b/train/images/molecule_754.png new file mode 100644 index 0000000000000000000000000000000000000000..09f4417c60514a91a7352a602efd521ccf922928 --- /dev/null +++ b/train/images/molecule_754.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5613fdf736b06018b23621d2dc1ba5cd028cd62dce9ea48069f187a72809d05e +size 13243 diff --git a/train/images/molecule_755.png b/train/images/molecule_755.png new file mode 100644 index 0000000000000000000000000000000000000000..03fd589428d00af671fa1723712533fbc9b97538 --- /dev/null +++ b/train/images/molecule_755.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5982039772bde0cbbd69ba9e18ea2ba0e8738eb3101b1a59982eea636618b6f1 +size 9388 diff --git a/train/images/molecule_756.png b/train/images/molecule_756.png new file mode 100644 index 0000000000000000000000000000000000000000..137ce6976772af8954df0c675acb85e7a5c7f6a9 --- /dev/null +++ b/train/images/molecule_756.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:85721dcfdaed025f8dbc68c9314332d59186b85b6dda5e9c6c8057afe681489f +size 10447 diff --git a/train/images/molecule_757.png b/train/images/molecule_757.png new file mode 100644 index 0000000000000000000000000000000000000000..a19d037f60fed2d2fc30abe43ebdefeab437b14f --- /dev/null +++ b/train/images/molecule_757.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:084d5c558d39203b01cc4bf34e36fcbcd0934d42d589c3653787f99abea6b20f +size 13336 diff --git a/train/images/molecule_758.png b/train/images/molecule_758.png new file mode 100644 index 0000000000000000000000000000000000000000..fe197ad118403a7f48a3f8a1ac3dd548de833d07 --- /dev/null +++ b/train/images/molecule_758.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18f1ac84b0eb49dd67148d532976edaa7868b7f4255a16ed1308928c92b1afba +size 9864 diff --git a/train/images/molecule_759.png b/train/images/molecule_759.png new file mode 100644 index 0000000000000000000000000000000000000000..3d8b63660912c6e7ed0fa500a6a444baddb91aec --- /dev/null +++ b/train/images/molecule_759.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a7b40fed4fa6f01503aa8e43c2469b3ef8ad2e5689d4bc7ae5b76f20a2266810 +size 9475 diff --git a/train/images/molecule_76.png b/train/images/molecule_76.png new file mode 100644 index 0000000000000000000000000000000000000000..6abbebf12e5878f0124ae61eed21adbac0a64f6c --- /dev/null +++ b/train/images/molecule_76.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ca1d5b150a54032bf9e903261b088b1f0628ce688cdcdd13245d243a52fa7f8d +size 11318 diff --git a/train/images/molecule_760.png b/train/images/molecule_760.png new file mode 100644 index 0000000000000000000000000000000000000000..8ad2c76953644eca899e5731c117ce7ca8bea49c --- /dev/null +++ b/train/images/molecule_760.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b5ca3a3416ea602fa67a62089a1e1e1ce2ff0887cc99821da272058610c5c9b +size 9300 diff --git a/train/images/molecule_761.png b/train/images/molecule_761.png new file mode 100644 index 0000000000000000000000000000000000000000..6371925f1ed0a118c81954a8482333cf8582762a --- /dev/null +++ b/train/images/molecule_761.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8298305826036596be863aa7e56c0f6d828b7ed244f10f21a3a182eec5df2a5c +size 9369 diff --git a/train/images/molecule_762.png b/train/images/molecule_762.png new file mode 100644 index 0000000000000000000000000000000000000000..4e17b78ffb38d0faf39d0864a43063011d87134e --- /dev/null +++ b/train/images/molecule_762.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4087b8c97c086e0bf05803f4f8cd1bb94e273e3507f78f4610f9a62053439669 +size 12873 diff --git a/train/images/molecule_763.png b/train/images/molecule_763.png new file mode 100644 index 0000000000000000000000000000000000000000..4e5667b3872dc4af30d0c9bd7f6e35d8fe8c2734 --- /dev/null +++ b/train/images/molecule_763.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b4de4878db24b755d4bd3e94acf70abdcd55cc842c593099904c1f13d47050d7 +size 8988 diff --git a/train/images/molecule_764.png b/train/images/molecule_764.png new file mode 100644 index 0000000000000000000000000000000000000000..4b17496885603f154e3060a85ab16178a811d218 --- /dev/null +++ b/train/images/molecule_764.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0f700f4697127a5395bd9539b172491ec9225dea5d97384b50f8b9b8d82009b2 +size 13093 diff --git a/train/images/molecule_765.png b/train/images/molecule_765.png new file mode 100644 index 0000000000000000000000000000000000000000..37b25d6c2da5aea962d085c73b3c2ec9d6db8904 --- /dev/null +++ b/train/images/molecule_765.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e5972fd3ef16783b4329a4f726474e6542394a1676fe622731b50f25d9b1da0f +size 8365 diff --git a/train/images/molecule_766.png b/train/images/molecule_766.png new file mode 100644 index 0000000000000000000000000000000000000000..3411d6aaebf486dbc9e2ef0d31aec3ce168f4f64 --- /dev/null +++ b/train/images/molecule_766.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f6c08f484c7768750bfc48123d751537ae68cec06188a5706b4b2304ed579aad +size 11933 diff --git a/train/images/molecule_767.png b/train/images/molecule_767.png new file mode 100644 index 0000000000000000000000000000000000000000..7c336e37a023c4457e2ff6a0c5fadfd89e4fc305 --- /dev/null +++ b/train/images/molecule_767.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fc0289477f4ad848cf067538dbcee5636c36d86225651919d8234cefa43e062f +size 15310 diff --git a/train/images/molecule_768.png b/train/images/molecule_768.png new file mode 100644 index 0000000000000000000000000000000000000000..2b9c0ad4ccca92f0240ae3828b50c27610c32063 --- /dev/null +++ b/train/images/molecule_768.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cfcd76528b83a9be94e009718086bc1fadf9375fc7f2cb10a3bd082c08f3471d +size 8790 diff --git a/train/images/molecule_769.png b/train/images/molecule_769.png new file mode 100644 index 0000000000000000000000000000000000000000..68e89689874e2186216dc2763eedd7c5268d8f5b --- /dev/null +++ b/train/images/molecule_769.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:85c6d7fda37e8a2544558212831cb4352be2577b250f96eb63b06c912744b560 +size 13593 diff --git a/train/images/molecule_77.png b/train/images/molecule_77.png new file mode 100644 index 0000000000000000000000000000000000000000..dfbfbe6e488b8e25f89dea86de444e1d4c417fb1 --- /dev/null +++ b/train/images/molecule_77.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:73f518da44812118b794a50c80b16c2fb0f6db2997f3d3a8270ed55729d7d69a +size 9795 diff --git a/train/images/molecule_770.png b/train/images/molecule_770.png new file mode 100644 index 0000000000000000000000000000000000000000..1f731116bc64be08e0f70e193bbcf20e5d2f115e --- /dev/null +++ b/train/images/molecule_770.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:64bfba6d722fa933a5581b79c78792324da95963f63399cb9c0f0fee19d16151 +size 12622 diff --git a/train/images/molecule_771.png b/train/images/molecule_771.png new file mode 100644 index 0000000000000000000000000000000000000000..854bbd7375ea6b526c2d9954bc1d1c52a38bf575 --- /dev/null +++ b/train/images/molecule_771.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:aa2787a8c03f9c63c02e933ec35e9ebf85d3919993210c384bde63cfbad62bc6 +size 7840 diff --git a/train/images/molecule_772.png b/train/images/molecule_772.png new file mode 100644 index 0000000000000000000000000000000000000000..36a0b247be00126548c85ef9e40189430ebd3004 --- /dev/null +++ b/train/images/molecule_772.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:62b394d10faafddb640e630d093ecfddcebb1e84acdd9e1c7ccc6edc28f571f5 +size 8435 diff --git a/train/images/molecule_773.png b/train/images/molecule_773.png new file mode 100644 index 0000000000000000000000000000000000000000..92bc70688cc5d6a71f2ffd59cadafb93e5b2f1ed --- /dev/null +++ b/train/images/molecule_773.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:38d6254b4c9b33d7aa6b58f2d86de6e76856f89c0ff1e21dd5ec7d9af011ba5b +size 10344 diff --git a/train/images/molecule_774.png b/train/images/molecule_774.png new file mode 100644 index 0000000000000000000000000000000000000000..055cee8cb2981bf3ca1b0b0f23b77a7eb4586f9b --- /dev/null +++ b/train/images/molecule_774.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3937509af437c435a4e634787bb7b6684ce55fb1e68293ac4992bb0b01196277 +size 9150 diff --git a/train/images/molecule_775.png b/train/images/molecule_775.png new file mode 100644 index 0000000000000000000000000000000000000000..3e5922acad1764d2e4fd59bdc31e0080c55b2d38 --- /dev/null +++ b/train/images/molecule_775.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e388d321f9ab2b5a00b26bb992d9c4dea9a35461c4d1380f03381a5a786cdb9 +size 9369 diff --git a/train/images/molecule_776.png b/train/images/molecule_776.png new file mode 100644 index 0000000000000000000000000000000000000000..a3eaa310002a58cd4bc3ec0983959dba35d17bd9 --- /dev/null +++ b/train/images/molecule_776.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c005def9dab794cc07514d5794b78878baa7c18d078d3ce47cd5c08a5400939 +size 12038 diff --git a/train/images/molecule_777.png b/train/images/molecule_777.png new file mode 100644 index 0000000000000000000000000000000000000000..20b2c237f186f048a21bf5353e8b7fb6dffd282b --- /dev/null +++ b/train/images/molecule_777.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:774fdfb7bad0be5965c76978343c5199d332a1f478ca7cdccd86e5ef55d4076c +size 9930 diff --git a/train/images/molecule_778.png b/train/images/molecule_778.png new file mode 100644 index 0000000000000000000000000000000000000000..0860cacfda8c691cb6ea1c408044a2e8519051df --- /dev/null +++ b/train/images/molecule_778.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1aa126f0e728fdb95406efb261151b1ec198d235704a010f7da1b47f6423e174 +size 9466 diff --git a/train/images/molecule_779.png b/train/images/molecule_779.png new file mode 100644 index 0000000000000000000000000000000000000000..e9825399dfd7a842e96b7a4eeb58a72c21182966 --- /dev/null +++ b/train/images/molecule_779.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:66865f83405bb7682d139a1bb7e405278d89bfe3c303f0f17baa0d1924ffea85 +size 11674 diff --git a/train/images/molecule_78.png b/train/images/molecule_78.png new file mode 100644 index 0000000000000000000000000000000000000000..98461c53c6bfab5d81fb34f1aaadf26135599316 --- /dev/null +++ b/train/images/molecule_78.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4742b54c169733e36691c235d92dfaf292e26fd9f6a29c1d9d0b12e52ba7e9fb +size 12339 diff --git a/train/images/molecule_780.png b/train/images/molecule_780.png new file mode 100644 index 0000000000000000000000000000000000000000..31478dd0169fc34c90af766a189385161cef5b7d --- /dev/null +++ b/train/images/molecule_780.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9a55f8e361b8c797ece5ec3127fd70903984a62b4b4ef00ce622bb57996e7f5 +size 10675 diff --git a/train/images/molecule_781.png b/train/images/molecule_781.png new file mode 100644 index 0000000000000000000000000000000000000000..ab23519bef99def0ea420b00b365016618a866a6 --- /dev/null +++ b/train/images/molecule_781.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:951d4a1db9c0676a3a8b888a4daed2a445cc5c3d0356bff436eacd2b56a6a591 +size 12334 diff --git a/train/images/molecule_782.png b/train/images/molecule_782.png new file mode 100644 index 0000000000000000000000000000000000000000..7b6aada8d6e03e6f5feec4f7490228c6b2caaa6a --- /dev/null +++ b/train/images/molecule_782.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5f4c1239e9107bcbf6ceec3999bcef10cd89b878b6c1033199cc576079649463 +size 10931 diff --git a/train/images/molecule_783.png b/train/images/molecule_783.png new file mode 100644 index 0000000000000000000000000000000000000000..60349470a4737adc48d17282648cd594de736748 --- /dev/null +++ b/train/images/molecule_783.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:012fed65660a68ae5993f29a39e2deb6c500c33c398d08e45ce8d7d302cccd0b +size 11397 diff --git a/train/images/molecule_784.png b/train/images/molecule_784.png new file mode 100644 index 0000000000000000000000000000000000000000..3d165889bcf322018305f3fe6eafacbda543135f --- /dev/null +++ b/train/images/molecule_784.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4ce99a95b5a33a9a4cc0fc16ee17b69cf66932638796cb435691bd56c11bbd35 +size 13659 diff --git a/train/images/molecule_785.png b/train/images/molecule_785.png new file mode 100644 index 0000000000000000000000000000000000000000..a0cfb5201e2aea027f7db2ec4c27c1909196f079 --- /dev/null +++ b/train/images/molecule_785.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a641b142ffa83f36c6a4095f3a2848503a28a6658a668ea57372b944f10ef196 +size 13426 diff --git a/train/images/molecule_786.png b/train/images/molecule_786.png new file mode 100644 index 0000000000000000000000000000000000000000..fb7adf80547357d1cbd5ee3365943a7622795b9e --- /dev/null +++ b/train/images/molecule_786.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fef92009400d02829d41c29797931d88992a15ab7e99b34bbe15e676aae7748e +size 8774 diff --git a/train/images/molecule_787.png b/train/images/molecule_787.png new file mode 100644 index 0000000000000000000000000000000000000000..2dedb9c87899c7e19c56c065c6f34a84c3d9ae1b --- /dev/null +++ b/train/images/molecule_787.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:66a9f863ea149a8025c6b5a4b43f3981f62b1bbee9581088d9f2176607802415 +size 10393 diff --git a/train/images/molecule_788.png b/train/images/molecule_788.png new file mode 100644 index 0000000000000000000000000000000000000000..c04b8408fe177fe975058671431cd5f16190b4d3 --- /dev/null +++ b/train/images/molecule_788.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d9de6a0823614a33b39246e1c7bf0ca8d3b8008d4533afe4576692f78846d1b3 +size 11261 diff --git a/train/images/molecule_789.png b/train/images/molecule_789.png new file mode 100644 index 0000000000000000000000000000000000000000..77eed8911d3e69b334fde9c18ec4793b05f95104 --- /dev/null +++ b/train/images/molecule_789.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bf3b21aab5de56a21f72e2a7e04e311623b27c62029e234d982daa16d3854b28 +size 12392 diff --git a/train/images/molecule_79.png b/train/images/molecule_79.png new file mode 100644 index 0000000000000000000000000000000000000000..9f49c033cfdd3201b07085aa6316de733dffc371 --- /dev/null +++ b/train/images/molecule_79.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e0bccfd50f761d2727ef602d997c950f2a8a4acd12d7d5d49ac6441b6aedaa62 +size 11451 diff --git a/train/images/molecule_790.png b/train/images/molecule_790.png new file mode 100644 index 0000000000000000000000000000000000000000..b8fbe2bb1bc9577db7cd128bb4ed1683d4ab2112 --- /dev/null +++ b/train/images/molecule_790.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b612cc074a36dbcd489e47a35ea0fcf41866dfaed08f2757b946e4c0ad459571 +size 7732 diff --git a/train/images/molecule_791.png b/train/images/molecule_791.png new file mode 100644 index 0000000000000000000000000000000000000000..d941e6a6fb39955812802024735598c404d8223a --- /dev/null +++ b/train/images/molecule_791.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:327bfe737e4845b1afd458e0a793400d5051604e0b4b5d79cf103d093fcedde9 +size 12079 diff --git a/train/images/molecule_792.png b/train/images/molecule_792.png new file mode 100644 index 0000000000000000000000000000000000000000..742e914a49a654da64cf1229ec53efa5afd66d0e --- /dev/null +++ b/train/images/molecule_792.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:334dc135928c836fad262e43be60a91751c88a64c5f52e73c17ebae63d102843 +size 12094 diff --git a/train/images/molecule_793.png b/train/images/molecule_793.png new file mode 100644 index 0000000000000000000000000000000000000000..e41f0e9b87436f23fa1f4c86eaa16c6bbdc09f31 --- /dev/null +++ b/train/images/molecule_793.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3771deda9eb2477f8cf8f87c1f623cb69033922e9afa96016de0c3ea974cf72a +size 10727 diff --git a/train/images/molecule_794.png b/train/images/molecule_794.png new file mode 100644 index 0000000000000000000000000000000000000000..9c100ef39e479d382cd90911dbed0c2854f426de --- /dev/null +++ b/train/images/molecule_794.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d08d87286cfc23b9a744066c69c237fbf4019b1c8a798944d57f0795be9f66ef +size 10222 diff --git a/train/images/molecule_795.png b/train/images/molecule_795.png new file mode 100644 index 0000000000000000000000000000000000000000..25b72020d70893b63986ad7c891db46506e5b2de --- /dev/null +++ b/train/images/molecule_795.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:49cc49e457b776b304461a39e8d4100f134180b7cd9d372e5c8c7904e3f4ffe6 +size 9898 diff --git a/train/images/molecule_796.png b/train/images/molecule_796.png new file mode 100644 index 0000000000000000000000000000000000000000..2eeed3d8b0a64006be5b93b74d90f40875f5e07b --- /dev/null +++ b/train/images/molecule_796.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d0c1bd859fccf3013d9bb920fb9afaa2a42cda51a88e7374b1968e4dfaf1523 +size 13052 diff --git a/train/images/molecule_797.png b/train/images/molecule_797.png new file mode 100644 index 0000000000000000000000000000000000000000..1c164ddac278c209ffdcee43df522ed67b1fd674 --- /dev/null +++ b/train/images/molecule_797.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:13a45e744612ee132c821b9eb31b48d6b1d1525a366696b35f9560f7303af6c2 +size 11205 diff --git a/train/images/molecule_798.png b/train/images/molecule_798.png new file mode 100644 index 0000000000000000000000000000000000000000..263d06e7d7b61946bba30ec216147663e9ed969c --- /dev/null +++ b/train/images/molecule_798.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a88639fe347aa5289b0b51c6bb74a4bda77a461c3f1b6ac719a81ac4e76a712e +size 13508 diff --git a/train/images/molecule_799.png b/train/images/molecule_799.png new file mode 100644 index 0000000000000000000000000000000000000000..9d473f7c731b3f43bc77d9d04d455f270fe5427c --- /dev/null +++ b/train/images/molecule_799.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ac9174e78be2c7eab21bfb651ae63d877a87fcdaf3f9871468112e1caa573e01 +size 11174 diff --git a/train/images/molecule_8.png b/train/images/molecule_8.png new file mode 100644 index 0000000000000000000000000000000000000000..991ff418c55987d2f2bccd99cc339a8cbe1824db --- /dev/null +++ b/train/images/molecule_8.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c9e55725cee40956b2db99ccb43af1b7204e694f52aa8afc89c6201b678d2ac6 +size 11281 diff --git a/train/images/molecule_80.png b/train/images/molecule_80.png new file mode 100644 index 0000000000000000000000000000000000000000..d3e870e24c7ce497f98ecd7e3f60f9e1d5f117ee --- /dev/null +++ b/train/images/molecule_80.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:536d639a866dad0de222e9c99b977276071222f6e18a931878af33bba5eec55c +size 10287 diff --git a/train/images/molecule_800.png b/train/images/molecule_800.png new file mode 100644 index 0000000000000000000000000000000000000000..f0062be612da01bd28f4361287be733a84ff2122 --- /dev/null +++ b/train/images/molecule_800.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:469b28ed6eae70a774a41c74fc4e9cd77256a5c928b878ba22ce16abce7e51a9 +size 12245 diff --git a/train/images/molecule_801.png b/train/images/molecule_801.png new file mode 100644 index 0000000000000000000000000000000000000000..681f79102d36d8e659396d099339352def68564e --- /dev/null +++ b/train/images/molecule_801.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:33610429e72df8fc3ac9cc19702354ee512971511e0a67afa504684ae9ec2e1f +size 13849 diff --git a/train/images/molecule_802.png b/train/images/molecule_802.png new file mode 100644 index 0000000000000000000000000000000000000000..8acef03e2b9e15e847586a52351c2dbcf8537d52 --- /dev/null +++ b/train/images/molecule_802.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:45565fd5f652b9d05dec6d59940dc29685ce91dd8412fe367b56a66fdf390467 +size 10471 diff --git a/train/images/molecule_803.png b/train/images/molecule_803.png new file mode 100644 index 0000000000000000000000000000000000000000..73c61bb6690a3e0c8c8e8a2c2cd43b704e0c9548 --- /dev/null +++ b/train/images/molecule_803.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6ffb0c7e143aa877fc6a78bb7386d73ed8f4381bac7478329340411d29bef9b4 +size 10578 diff --git a/train/images/molecule_804.png b/train/images/molecule_804.png new file mode 100644 index 0000000000000000000000000000000000000000..4b041b06064bb849d9494e9da1a3eace534e8f77 --- /dev/null +++ b/train/images/molecule_804.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1dbcb222cdfa2a2ce41223ecc567933a476fb8763be1154175cde9b5910dc82a +size 12193 diff --git a/train/images/molecule_805.png b/train/images/molecule_805.png new file mode 100644 index 0000000000000000000000000000000000000000..bb05048f2cfa48515b268f98292552377592512a --- /dev/null +++ b/train/images/molecule_805.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e11cd587bae867baa0d6a36ab541133bcf909d190f9c0302f783bf27ce6be22 +size 13102 diff --git a/train/images/molecule_806.png b/train/images/molecule_806.png new file mode 100644 index 0000000000000000000000000000000000000000..86dacb121ddbc2246fc90c545442b886da858895 --- /dev/null +++ b/train/images/molecule_806.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c97536a0356399bdb41950d194677f6987e143201ef71808d0613436a3cadac7 +size 11813 diff --git a/train/images/molecule_807.png b/train/images/molecule_807.png new file mode 100644 index 0000000000000000000000000000000000000000..7eb72e862e04eecf5589bfb1859c28c6606d5a1a --- /dev/null +++ b/train/images/molecule_807.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:31b38c969d74b06f99009ac572f5560286b22e0e14ddfa21523af2f9521137b1 +size 11883 diff --git a/train/images/molecule_808.png b/train/images/molecule_808.png new file mode 100644 index 0000000000000000000000000000000000000000..a21df348e50d765cd652d480437253b56c23d64b --- /dev/null +++ b/train/images/molecule_808.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fb6f820cc4fe3ffbe8690015b3708aac88560b5378430ed2fc592599a4bf70e6 +size 10453 diff --git a/train/images/molecule_809.png b/train/images/molecule_809.png new file mode 100644 index 0000000000000000000000000000000000000000..e1bc5145f51d4279c8029e84e944063000cec210 --- /dev/null +++ b/train/images/molecule_809.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a8663ebe282252019e06b582a7ae4079397585707354f06da222bbc392c0b87a +size 7955 diff --git a/train/images/molecule_81.png b/train/images/molecule_81.png new file mode 100644 index 0000000000000000000000000000000000000000..194295d333fb32d957c93b8288696c2c5681f659 --- /dev/null +++ b/train/images/molecule_81.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3015e9d4382bd2fdb1bd8904e8a7f398d1be665c1043341693dcce4cf20aec03 +size 9319 diff --git a/train/images/molecule_810.png b/train/images/molecule_810.png new file mode 100644 index 0000000000000000000000000000000000000000..2b9c53f380a3e3b2d565330e1254b5cb4480b50a --- /dev/null +++ b/train/images/molecule_810.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e3132494d848dd642e57602f35cddb500f10bcc20a7d6f0d8199ccfeed5bb20d +size 12816 diff --git a/train/images/molecule_811.png b/train/images/molecule_811.png new file mode 100644 index 0000000000000000000000000000000000000000..a3f39a4576d0943601c843c464c190b6200ead37 --- /dev/null +++ b/train/images/molecule_811.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4bc2e7aa3ed747ee23d3f91c0138b58dca253645f1309c79c5227a55e54b471b +size 10076 diff --git a/train/images/molecule_812.png b/train/images/molecule_812.png new file mode 100644 index 0000000000000000000000000000000000000000..6554baede43ddd8867c263222cc2264ec5c46a9b --- /dev/null +++ b/train/images/molecule_812.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:04babc7b4472fad70a83385a3e09debbe86733fb87db1c5ddee68019dce5b19d +size 12030 diff --git a/train/images/molecule_813.png b/train/images/molecule_813.png new file mode 100644 index 0000000000000000000000000000000000000000..bc2e142f175aadf9306a06835b14409dbbd432fb --- /dev/null +++ b/train/images/molecule_813.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:865500dbffb013fd57088e55e68085b7904fe030276220f7c4123c303256bc8b +size 9863 diff --git a/train/images/molecule_814.png b/train/images/molecule_814.png new file mode 100644 index 0000000000000000000000000000000000000000..d6be4a5c6582073f95c4b2194b392c1d8afbf74a --- /dev/null +++ b/train/images/molecule_814.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f3370ec469551b5b8f9eca43ff250ce010bc9d0a8089c2381397714fc47b371 +size 8540 diff --git a/train/images/molecule_815.png b/train/images/molecule_815.png new file mode 100644 index 0000000000000000000000000000000000000000..a19d037f60fed2d2fc30abe43ebdefeab437b14f --- /dev/null +++ b/train/images/molecule_815.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:084d5c558d39203b01cc4bf34e36fcbcd0934d42d589c3653787f99abea6b20f +size 13336 diff --git a/train/images/molecule_816.png b/train/images/molecule_816.png new file mode 100644 index 0000000000000000000000000000000000000000..c0c01dfc4532e44b70b25b0cc53681a20f483414 --- /dev/null +++ b/train/images/molecule_816.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:596cddea541ea07bfd468d3e8fc6ff65016ef280f0e1b554be3e657595ac466a +size 11815 diff --git a/train/images/molecule_817.png b/train/images/molecule_817.png new file mode 100644 index 0000000000000000000000000000000000000000..053bf087ddbc5f2c4d11387c263914c06d23ddb8 --- /dev/null +++ b/train/images/molecule_817.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:83a7dba840fe97406b62289058504c248269f01e436eedd2590a6eb6a6619d60 +size 12099 diff --git a/train/images/molecule_818.png b/train/images/molecule_818.png new file mode 100644 index 0000000000000000000000000000000000000000..c8232d0972f51542dcba7511402e3b8dbe535f6f --- /dev/null +++ b/train/images/molecule_818.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f0e4a96404b25b03d10692ce403c1887a0201d9e97fe4fcec35dfc28f4671dff +size 10099 diff --git a/train/images/molecule_819.png b/train/images/molecule_819.png new file mode 100644 index 0000000000000000000000000000000000000000..e8d52e7f3ec36fca6fdbabae6885fea1de9f938a --- /dev/null +++ b/train/images/molecule_819.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4d32543002677fcce245ef1f96e1fc12c45dae611e36ae5a8d2e79dc9f727a03 +size 12441 diff --git a/train/images/molecule_82.png b/train/images/molecule_82.png new file mode 100644 index 0000000000000000000000000000000000000000..3e2a27d73cf534c504c9bce0e55ea3dbb043b130 --- /dev/null +++ b/train/images/molecule_82.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:763c27fc26bec33791542ee9dfc2195461c82a43002b873402d80c842111a92f +size 12164 diff --git a/train/images/molecule_820.png b/train/images/molecule_820.png new file mode 100644 index 0000000000000000000000000000000000000000..a5f7de3f7e99fe9fa7d8401fd27fa643a994a66a --- /dev/null +++ b/train/images/molecule_820.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eebb0d39638d9573afdb1dcb5c32b4e6a34a8d63fd7ff32c43e7b30492b17537 +size 10444 diff --git a/train/images/molecule_821.png b/train/images/molecule_821.png new file mode 100644 index 0000000000000000000000000000000000000000..709729aa4e0e207e3a360232b3163eda1a5b514f --- /dev/null +++ b/train/images/molecule_821.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bab7ba8720ec6bc54109e9a5db377407a4731b4b281fdb510d00e8312a180263 +size 11271 diff --git a/train/images/molecule_822.png b/train/images/molecule_822.png new file mode 100644 index 0000000000000000000000000000000000000000..7798272ec7e7db4e9038aff33fcb8434000b9111 --- /dev/null +++ b/train/images/molecule_822.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:844b1e4b07624a41041701d1e63665570366635ff61cc4332c3b03f77d1abdf7 +size 12510 diff --git a/train/images/molecule_823.png b/train/images/molecule_823.png new file mode 100644 index 0000000000000000000000000000000000000000..09cb862d9ff8bf2bf6e63fc34934c77a1b48bd3e --- /dev/null +++ b/train/images/molecule_823.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:42c06ff2efbc62267035922a747ba20216a5beea0f79ce346e61ba5be950b027 +size 10836 diff --git a/train/images/molecule_824.png b/train/images/molecule_824.png new file mode 100644 index 0000000000000000000000000000000000000000..0f49c69fda4928aa6c59e269c02f31a4a34b8743 --- /dev/null +++ b/train/images/molecule_824.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c18296bf5f09757cfe2d64394f3a20be8b83bb0bf1489f6b31604d83a72806a +size 12278 diff --git a/train/images/molecule_825.png b/train/images/molecule_825.png new file mode 100644 index 0000000000000000000000000000000000000000..ff02ac0d5fc297d87f9e73b11f009297e13f5684 --- /dev/null +++ b/train/images/molecule_825.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5e4c409944d9c1ed925f7fadf6d21a6281340b48da7f14b7b67ae080ea6d111 +size 12595 diff --git a/train/images/molecule_826.png b/train/images/molecule_826.png new file mode 100644 index 0000000000000000000000000000000000000000..a6baa351704b096488107db117c3e61177823d11 --- /dev/null +++ b/train/images/molecule_826.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:81190123a30baf9663702a28926e88224f3306df44a913f2df20de288a68fd74 +size 11343 diff --git a/train/images/molecule_827.png b/train/images/molecule_827.png new file mode 100644 index 0000000000000000000000000000000000000000..8265cf7440a52d7a91912b4b42ac64a2cbbe6785 --- /dev/null +++ b/train/images/molecule_827.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2e33e5826bd14b56517b7055e73573fccb538135773c71c69ae219a633398ae5 +size 11738 diff --git a/train/images/molecule_828.png b/train/images/molecule_828.png new file mode 100644 index 0000000000000000000000000000000000000000..042fbcea60518edac04c916c5e4402478c316ee9 --- /dev/null +++ b/train/images/molecule_828.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4f9660d53ff3eea6c7779899f3dfb643d179d393cb93f70f8071fa7120a8c1e7 +size 12728 diff --git a/train/images/molecule_829.png b/train/images/molecule_829.png new file mode 100644 index 0000000000000000000000000000000000000000..03fe8a835e543765b55c924fa57e88162fe6284b --- /dev/null +++ b/train/images/molecule_829.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:09c3019c9c3a06d145c3354df6631d84006df5c00c935930cd235ddedfdf2d52 +size 8990 diff --git a/train/images/molecule_83.png b/train/images/molecule_83.png new file mode 100644 index 0000000000000000000000000000000000000000..38c10381050daa81a4865375055c1c4356f2859a --- /dev/null +++ b/train/images/molecule_83.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1533b66b2f37162f6730bcaffd8d68b5fdf49564c4fa47d5e08f2db188e406b4 +size 9742 diff --git a/train/images/molecule_830.png b/train/images/molecule_830.png new file mode 100644 index 0000000000000000000000000000000000000000..8c9a2fe59905c96b12c588d8b542606f711b3beb --- /dev/null +++ b/train/images/molecule_830.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f32475e082e2916730d19faf8ff44750e7725f33f6ddee6eca035b968ba71bb3 +size 12236 diff --git a/train/images/molecule_831.png b/train/images/molecule_831.png new file mode 100644 index 0000000000000000000000000000000000000000..4509758468734c0f3b65afcd3cd41b11dc0d7a5b --- /dev/null +++ b/train/images/molecule_831.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6439162a68a9caf6fa0b6df0c5c0ea1749a2e3ad4b660637af035ea7dd8de58f +size 8926 diff --git a/train/images/molecule_832.png b/train/images/molecule_832.png new file mode 100644 index 0000000000000000000000000000000000000000..f96ef451adaa216fd8ccb314d0615c6c6a7f7223 --- /dev/null +++ b/train/images/molecule_832.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7abf3db81d20736e7436854ee6987bab35d56671d0de852f5eea49bf2a5cc31b +size 11178 diff --git a/train/images/molecule_833.png b/train/images/molecule_833.png new file mode 100644 index 0000000000000000000000000000000000000000..0eef5068c1f56380ad21ddac44f9c0dc89695662 --- /dev/null +++ b/train/images/molecule_833.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c224305844ecbfb36303c5d2913880c605d26c920ab03ada91c2019cf614552 +size 11795 diff --git a/train/images/molecule_834.png b/train/images/molecule_834.png new file mode 100644 index 0000000000000000000000000000000000000000..aa76862805f9389c551c8055cdfb9a1f7db95562 --- /dev/null +++ b/train/images/molecule_834.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2fa0bf971ad22b907c393821f2ba14929d1f4a16ea0aa8f9b2b4b6f55ac91998 +size 11990 diff --git a/train/images/molecule_835.png b/train/images/molecule_835.png new file mode 100644 index 0000000000000000000000000000000000000000..ba47d44b38f076c202ee79140529dcee5309e9ea --- /dev/null +++ b/train/images/molecule_835.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b55cc3a2551d5e01e387b6ef7008fb0bdc2df1c093909673f0c192394dfb9831 +size 11289 diff --git a/train/images/molecule_836.png b/train/images/molecule_836.png new file mode 100644 index 0000000000000000000000000000000000000000..199ecfe1f1ab9a5fe5e15d9221c4e31364bc7799 --- /dev/null +++ b/train/images/molecule_836.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dccec2869781277559eae55e1ee4b4a60101fc82a6906108cdd80761f9505a9a +size 10077 diff --git a/train/images/molecule_837.png b/train/images/molecule_837.png new file mode 100644 index 0000000000000000000000000000000000000000..0d37566924d51291dc0b376ce3aa856f4e05e595 --- /dev/null +++ b/train/images/molecule_837.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c9fd802e2e8f045a5dec14dfd8e28cd809c613ffae709c9c5555533bf97bb1b2 +size 13028 diff --git a/train/images/molecule_838.png b/train/images/molecule_838.png new file mode 100644 index 0000000000000000000000000000000000000000..1a0459d133e29f57b823385452fa4e7c8bb15d6a --- /dev/null +++ b/train/images/molecule_838.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6beb0d8ecf20f9493b1ee50533dc8c86fbea43dd71ee2f3bfe72ae521e2e1cf7 +size 8421 diff --git a/train/images/molecule_839.png b/train/images/molecule_839.png new file mode 100644 index 0000000000000000000000000000000000000000..55ae84ce32342d9c81cf889ee6cdb3fe3965eeac --- /dev/null +++ b/train/images/molecule_839.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:055d1272b7b92057b536da80e0f9fe16c803727e17f2da3573659d50da067fac +size 10119 diff --git a/train/images/molecule_84.png b/train/images/molecule_84.png new file mode 100644 index 0000000000000000000000000000000000000000..580409c69c06b3bf4aecc5e8d06be16f60f62555 --- /dev/null +++ b/train/images/molecule_84.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93381a633bf1d3c9d53c6eab5174ac25b3d31a6dfaa4396db4c02a9da3eb297d +size 12140 diff --git a/train/images/molecule_840.png b/train/images/molecule_840.png new file mode 100644 index 0000000000000000000000000000000000000000..761494728ea795143174247623f463981aa9471a --- /dev/null +++ b/train/images/molecule_840.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4f9f7df93365f00da89ab5a4cf6ded2812b03f6b893fd2f75a07c81565abcb1d +size 11755 diff --git a/train/images/molecule_841.png b/train/images/molecule_841.png new file mode 100644 index 0000000000000000000000000000000000000000..f1b11a2d9e729b2fa6b8dc029fa8d96375c1a8e3 --- /dev/null +++ b/train/images/molecule_841.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2b272cae5ab0045adf3cf74db8344cd14f3fbfae143e2594a6a5d880ea75eb82 +size 10853 diff --git a/train/images/molecule_842.png b/train/images/molecule_842.png new file mode 100644 index 0000000000000000000000000000000000000000..972162a675830981d8ac048871d3481898787d36 --- /dev/null +++ b/train/images/molecule_842.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:16e5cfc9627242a972dececa360581e80907cc1374cb80918ec25d9a5c3f5be1 +size 9532 diff --git a/train/images/molecule_843.png b/train/images/molecule_843.png new file mode 100644 index 0000000000000000000000000000000000000000..9092414bb0cca06514e3bc3c4ada7b9b6048054d --- /dev/null +++ b/train/images/molecule_843.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e3e5efca6ea6feffaf326a9a19ff664a9269838a952ed62ecd821e86866f0e9c +size 13027 diff --git a/train/images/molecule_844.png b/train/images/molecule_844.png new file mode 100644 index 0000000000000000000000000000000000000000..bdee8e756b45ecc5e0fc36504d0d74a726d6b9a3 --- /dev/null +++ b/train/images/molecule_844.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:72fd40a171ff2391a709b64821cba638075a66ea86ab75bbee0f02bae911137d +size 10829 diff --git a/train/images/molecule_845.png b/train/images/molecule_845.png new file mode 100644 index 0000000000000000000000000000000000000000..1ddb3f7d140ad152228b45b4800b55c467a76ed1 --- /dev/null +++ b/train/images/molecule_845.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8e73eacf81d60a0cc13e77840cbfdfa17c566c5f104dd267f53047aa45ce588b +size 12032 diff --git a/train/images/molecule_846.png b/train/images/molecule_846.png new file mode 100644 index 0000000000000000000000000000000000000000..8be4ad06f8031728f1b3ab7a9fa1a06233050c1b --- /dev/null +++ b/train/images/molecule_846.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:33ad986203591c0b4be9c9b18f68e0ab1298e249bf4fb1b2dcbac1cf22941a8c +size 14209 diff --git a/train/images/molecule_847.png b/train/images/molecule_847.png new file mode 100644 index 0000000000000000000000000000000000000000..aa09b2ea8d9e05584a5cbf935a516e10b39582f9 --- /dev/null +++ b/train/images/molecule_847.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d74db750568e45d714c9bd6a3f7f4e31ddb6851d4bcf498f77af5aa6dd9388f9 +size 12428 diff --git a/train/images/molecule_848.png b/train/images/molecule_848.png new file mode 100644 index 0000000000000000000000000000000000000000..b53539fb275f6e87b666f1a34bb5890b7dd64393 --- /dev/null +++ b/train/images/molecule_848.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:48eefc553ad392c4040e8bf1d2232e31c245d3a7c2e55b60916511e326ff7328 +size 9324 diff --git a/train/images/molecule_849.png b/train/images/molecule_849.png new file mode 100644 index 0000000000000000000000000000000000000000..7fe91673525b13b260bf8f8b332392e86d2bbdb9 --- /dev/null +++ b/train/images/molecule_849.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec4d59b19332e53790b512831ea33ef693a3a498efadf7798315ab7f098da7e2 +size 8859 diff --git a/train/images/molecule_85.png b/train/images/molecule_85.png new file mode 100644 index 0000000000000000000000000000000000000000..8216add08bd5b89367e0cb1557d99bacdf96f573 --- /dev/null +++ b/train/images/molecule_85.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ec8fe50089ff2d2a0dc3c298a11d8f3885295074ae68d0b5941cfab99e156f53 +size 10212 diff --git a/train/images/molecule_850.png b/train/images/molecule_850.png new file mode 100644 index 0000000000000000000000000000000000000000..c84de298e0cff71ae090573dae5ec494482e5e16 --- /dev/null +++ b/train/images/molecule_850.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ab1b584ffb6dee4f95064955269a1a3716cedca64ed635048a725c289401ba4e +size 11765 diff --git a/train/images/molecule_851.png b/train/images/molecule_851.png new file mode 100644 index 0000000000000000000000000000000000000000..a5f7de3f7e99fe9fa7d8401fd27fa643a994a66a --- /dev/null +++ b/train/images/molecule_851.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eebb0d39638d9573afdb1dcb5c32b4e6a34a8d63fd7ff32c43e7b30492b17537 +size 10444 diff --git a/train/images/molecule_852.png b/train/images/molecule_852.png new file mode 100644 index 0000000000000000000000000000000000000000..a8204b91b582c7fdcd0c23398ccf49c28e429c41 --- /dev/null +++ b/train/images/molecule_852.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6d521778c2463858133863182012e48dbb489da2c07c4db2b4d69282f99d5eae +size 12269 diff --git a/train/images/molecule_853.png b/train/images/molecule_853.png new file mode 100644 index 0000000000000000000000000000000000000000..73d0044a3b1a1cb0780cbb6e7941c16e7faa0638 --- /dev/null +++ b/train/images/molecule_853.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6b30ade65fc38b1b46d80bb67350058550bbd4b9e6c97faadcfb40b60da43246 +size 8656 diff --git a/train/images/molecule_854.png b/train/images/molecule_854.png new file mode 100644 index 0000000000000000000000000000000000000000..e4012ae08764a4049883987bcdce7dc139aa2fe5 --- /dev/null +++ b/train/images/molecule_854.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:deaf87671d85d56051b3f4b4a2740a3ad36eaa61cbfce438830dd206296844f4 +size 9180 diff --git a/train/images/molecule_855.png b/train/images/molecule_855.png new file mode 100644 index 0000000000000000000000000000000000000000..7c0a89addf0d7d3ff30479f65877f2977680ae18 --- /dev/null +++ b/train/images/molecule_855.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e321722840a6ddb659661200a8e4ad3a444d1f96e867f6f6f266ad2047e2f584 +size 11268 diff --git a/train/images/molecule_856.png b/train/images/molecule_856.png new file mode 100644 index 0000000000000000000000000000000000000000..78223d9877a863809b8eebfc1f1ead97a290e1ca --- /dev/null +++ b/train/images/molecule_856.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7bc0f00f6e87518d24ecd640d8a08d7bce424b21f1d43ba1706c8ecf24c9be8 +size 9419 diff --git a/train/images/molecule_857.png b/train/images/molecule_857.png new file mode 100644 index 0000000000000000000000000000000000000000..c0e2df1cf7aca2bb39c334f22f58d56f7de6f744 --- /dev/null +++ b/train/images/molecule_857.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c2fff6583d750f71ce0c9bb26cf7310e062df32af38726bf61ca79f3c1b3aa0b +size 14331 diff --git a/train/images/molecule_858.png b/train/images/molecule_858.png new file mode 100644 index 0000000000000000000000000000000000000000..e75a86f804f9c89722f2cbd983898efea78a1a86 --- /dev/null +++ b/train/images/molecule_858.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9ef308e2395589ca66b464fe1e5ece36319be067e073ef0e8ec09ef902941881 +size 10885 diff --git a/train/images/molecule_859.png b/train/images/molecule_859.png new file mode 100644 index 0000000000000000000000000000000000000000..8032aa19787274919652fd9513efa86a622547e7 --- /dev/null +++ b/train/images/molecule_859.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:dee364f9839c46197291e94e13d8eb23fb74180d4cfd367cd7703cc9b50e1f1c +size 14737 diff --git a/train/images/molecule_86.png b/train/images/molecule_86.png new file mode 100644 index 0000000000000000000000000000000000000000..a3abf72db60104b01346759a28431c438fbe5df8 --- /dev/null +++ b/train/images/molecule_86.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f9b9afa4da094366332b54fa55facff7fb1634372c289d962e22c43a6074f496 +size 11754 diff --git a/train/images/molecule_860.png b/train/images/molecule_860.png new file mode 100644 index 0000000000000000000000000000000000000000..05da8ee19469ebcb2c668308c63ab21adecc39ff --- /dev/null +++ b/train/images/molecule_860.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a805295a4ccbb3c54f41c404e76176a0c607776af59d55eb234e0567b229b556 +size 12613 diff --git a/train/images/molecule_861.png b/train/images/molecule_861.png new file mode 100644 index 0000000000000000000000000000000000000000..880711ee7eb93515a80f6fd776893be49ba08109 --- /dev/null +++ b/train/images/molecule_861.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:65427eb982fcbdb96db57cd815529fe3c4fb3089960937c42e096d6fae7ea17b +size 9185 diff --git a/train/images/molecule_862.png b/train/images/molecule_862.png new file mode 100644 index 0000000000000000000000000000000000000000..1a0c7cefc5c43a33b1551ec07ec2bd5278bafd5c --- /dev/null +++ b/train/images/molecule_862.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:893ed3e29a0562198379ffd8201a0fa50c16b4d3ece07c4a422cc26c464ff5ff +size 11557 diff --git a/train/images/molecule_863.png b/train/images/molecule_863.png new file mode 100644 index 0000000000000000000000000000000000000000..d5fea6b267bce9d2c44b06f91cbf0345c6333537 --- /dev/null +++ b/train/images/molecule_863.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06ddd572745df9cc536e1b155ffa6b3ac2d8cb64c4e190517cb7bf40f692337b +size 14003 diff --git a/train/images/molecule_864.png b/train/images/molecule_864.png new file mode 100644 index 0000000000000000000000000000000000000000..f58e8a94398baed34e4f3bd782743110ee71e78a --- /dev/null +++ b/train/images/molecule_864.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:925f4b743e6ae3d95135c5deed7d87a9d6f94e1933473d5ee3fe44463fc0a368 +size 8284 diff --git a/train/images/molecule_865.png b/train/images/molecule_865.png new file mode 100644 index 0000000000000000000000000000000000000000..7de858aad8a4016b74230c360e61b2cf9c4eaed4 --- /dev/null +++ b/train/images/molecule_865.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:55c489f416d6ab5256b5de602d5cb496a2102f4499cca4de972b91b5a724a19a +size 12026 diff --git a/train/images/molecule_866.png b/train/images/molecule_866.png new file mode 100644 index 0000000000000000000000000000000000000000..30c96377245e55510746a1edb3457ba76cdc25b7 --- /dev/null +++ b/train/images/molecule_866.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8380bfe03f7371c8ac07975cfb0db85c9b57162dc2bfd0382ff6e1e9ec59dd0b +size 12284 diff --git a/train/images/molecule_867.png b/train/images/molecule_867.png new file mode 100644 index 0000000000000000000000000000000000000000..67b1102859426cc5ccd547698b963dd34fe3c75d --- /dev/null +++ b/train/images/molecule_867.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f5d2a3a2e5e6fd4e35341bd3c7beca9954c52bcc1e0960a0bc8abad1adb90216 +size 12479 diff --git a/train/images/molecule_868.png b/train/images/molecule_868.png new file mode 100644 index 0000000000000000000000000000000000000000..25109870032b4a0729eb7306481ee7b257eb2fd9 --- /dev/null +++ b/train/images/molecule_868.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a157221af7a8d1acdd95b5cc716a71581fa19081e38a4d9fdda5e9286bc63bd5 +size 11015 diff --git a/train/images/molecule_869.png b/train/images/molecule_869.png new file mode 100644 index 0000000000000000000000000000000000000000..bfc4251607119fa4d627e3051d1c3ce9888c1b5e --- /dev/null +++ b/train/images/molecule_869.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f14b954ff1406c12ca0bf708f841c73ae4d5117b628bf7d2f5370713c7d9e832 +size 10192 diff --git a/train/images/molecule_87.png b/train/images/molecule_87.png new file mode 100644 index 0000000000000000000000000000000000000000..e8f99c1766f26ffaf5437c2648a283dc94ba4b70 --- /dev/null +++ b/train/images/molecule_87.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:91cae7a02917e5fc2f9348a6ab7ec7a15e4cdae2f118b2fc31c23a7f770fe20b +size 12270 diff --git a/train/images/molecule_870.png b/train/images/molecule_870.png new file mode 100644 index 0000000000000000000000000000000000000000..f9e58ce2a982aeea615450f94a8fe0ee6188cf94 --- /dev/null +++ b/train/images/molecule_870.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3f170f954acc6c2ce1683782023ff9141425ee32ace52c7726ecf3d339ed2434 +size 11178 diff --git a/train/images/molecule_871.png b/train/images/molecule_871.png new file mode 100644 index 0000000000000000000000000000000000000000..3ea2ec0b57fcae0fd306d43ead448a7d45021aca --- /dev/null +++ b/train/images/molecule_871.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:14e5b3342a0a7493c94f87415a5798712b543a990efa73d6755d9a8d6d23bee7 +size 9591 diff --git a/train/images/molecule_872.png b/train/images/molecule_872.png new file mode 100644 index 0000000000000000000000000000000000000000..17ff1e84b1f74655beec95acd09bd84bd555e8d8 --- /dev/null +++ b/train/images/molecule_872.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3d647aa5b194c79e62751c01fd3f6091d8b5623e3e71acf67bedc8869417a201 +size 10205 diff --git a/train/images/molecule_873.png b/train/images/molecule_873.png new file mode 100644 index 0000000000000000000000000000000000000000..5dea56fb31b24b8bc7204b6cab5f357149e32bd9 --- /dev/null +++ b/train/images/molecule_873.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:065507a03bf765439cebf3fd9d1e3e9d8687d169347e812f84061982a38729b1 +size 10251 diff --git a/train/images/molecule_874.png b/train/images/molecule_874.png new file mode 100644 index 0000000000000000000000000000000000000000..22dc553be6c03a02efc2080409ed7d343e62a6b6 --- /dev/null +++ b/train/images/molecule_874.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cce862c81b97707a772a48edcc839219b964b575880af3337959b50277d9b112 +size 11684 diff --git a/train/images/molecule_875.png b/train/images/molecule_875.png new file mode 100644 index 0000000000000000000000000000000000000000..8f7b4ab0a6ecdda108f9710dbd77877c8155b8c3 --- /dev/null +++ b/train/images/molecule_875.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf6729a57f57f4d55ec8d05c05b4ca7692b9fbf0f1543714c9000dabda37145c +size 8660 diff --git a/train/images/molecule_876.png b/train/images/molecule_876.png new file mode 100644 index 0000000000000000000000000000000000000000..8cf814daa5ae5b02c3d9479ab177dc7cffdb564b --- /dev/null +++ b/train/images/molecule_876.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5439fb11a59dc8d184b93729fc839b1eed704febcfbb088539c47010f6dcfd45 +size 11202 diff --git a/train/images/molecule_877.png b/train/images/molecule_877.png new file mode 100644 index 0000000000000000000000000000000000000000..a6691811f14314f6ad955a0dc24b76cf3601bb5e --- /dev/null +++ b/train/images/molecule_877.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a2df0bf450e673d644cc444a887232ab01675613a855aac6412929ef2bf408c +size 11277 diff --git a/train/images/molecule_878.png b/train/images/molecule_878.png new file mode 100644 index 0000000000000000000000000000000000000000..82eb6ff0180d09f13408147520502349db384d20 --- /dev/null +++ b/train/images/molecule_878.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:18f78d3934174d14b02de845514d6972b9e2db5d8e03a533e909668df6e6ce6d +size 11735 diff --git a/train/images/molecule_879.png b/train/images/molecule_879.png new file mode 100644 index 0000000000000000000000000000000000000000..ded3176926e21f0c6732de05dc78c10370066250 --- /dev/null +++ b/train/images/molecule_879.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d5acaa8b301ca5e7d7a8ddc0019c233eade39c461b53be3bac3cecabaca905e7 +size 9821 diff --git a/train/images/molecule_88.png b/train/images/molecule_88.png new file mode 100644 index 0000000000000000000000000000000000000000..86dacb121ddbc2246fc90c545442b886da858895 --- /dev/null +++ b/train/images/molecule_88.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c97536a0356399bdb41950d194677f6987e143201ef71808d0613436a3cadac7 +size 11813 diff --git a/train/images/molecule_880.png b/train/images/molecule_880.png new file mode 100644 index 0000000000000000000000000000000000000000..0fbf73848459ec7172af300ec5ffdf3aad71a3c3 --- /dev/null +++ b/train/images/molecule_880.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f337a082982c4c84a4edf48bd7023d1b2afd44255dcfe5523b85cfde30fc61ae +size 9046 diff --git a/train/images/molecule_881.png b/train/images/molecule_881.png new file mode 100644 index 0000000000000000000000000000000000000000..0e07ad61fd5550d5b501e047b771c4e482658514 --- /dev/null +++ b/train/images/molecule_881.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:64880d9c23406b2368fd7d746f33e21a852c144e4baa064106d3ab107e600ce5 +size 11847 diff --git a/train/images/molecule_882.png b/train/images/molecule_882.png new file mode 100644 index 0000000000000000000000000000000000000000..119bcfea077e25d8663ff1bb991f13e42f5cdbda --- /dev/null +++ b/train/images/molecule_882.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:71c39c6bbff0d5204ba0ed4b67711041687185f379974cb90642b96956016d7b +size 10588 diff --git a/train/images/molecule_883.png b/train/images/molecule_883.png new file mode 100644 index 0000000000000000000000000000000000000000..2f58d4d737f708dabe54ff396c9b03429d05c36f --- /dev/null +++ b/train/images/molecule_883.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:190a3e533989e93df51f139b673d7e5e21c9b22b025ebc2bafeefd1973e5f309 +size 13054 diff --git a/train/images/molecule_884.png b/train/images/molecule_884.png new file mode 100644 index 0000000000000000000000000000000000000000..d80cd25fb1b95b994e7aca6b084ccd56e1e6b586 --- /dev/null +++ b/train/images/molecule_884.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bccca759db8a58ef99ffb48805f6c8c3a552c11f1cda083bb601b962b0b65199 +size 14070 diff --git a/train/images/molecule_885.png b/train/images/molecule_885.png new file mode 100644 index 0000000000000000000000000000000000000000..208f8f3a4cf2c25b06f9cc81ab4bc51acc98a3cf --- /dev/null +++ b/train/images/molecule_885.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:33db3d18b9b5e7cedab859cecc3f09670c9fe9862be3a5a864a69adedd4f6568 +size 10782 diff --git a/train/images/molecule_886.png b/train/images/molecule_886.png new file mode 100644 index 0000000000000000000000000000000000000000..adb9b3b9ae7364741dd1533882aeecb873a6e21e --- /dev/null +++ b/train/images/molecule_886.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fe219c826649581c0bb63e980534f9ba59359fb74dd5f591e40a522a03d14ab1 +size 11159 diff --git a/train/images/molecule_887.png b/train/images/molecule_887.png new file mode 100644 index 0000000000000000000000000000000000000000..bc2d0d58cee8ba6b37f0bce6790983a2db7c5dd8 --- /dev/null +++ b/train/images/molecule_887.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1c6574e17013238e94f8bb197d8b9e58b300555d6aaaa7c84c4acbf253cdbc4d +size 12256 diff --git a/train/images/molecule_888.png b/train/images/molecule_888.png new file mode 100644 index 0000000000000000000000000000000000000000..d68fb67e09e393c96263fda63ca8d39a76fb6455 --- /dev/null +++ b/train/images/molecule_888.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a4ce5767a25fb7f6bcb1eb8fe4ca45129168e7dafdf2c59743438690a012e352 +size 14213 diff --git a/train/images/molecule_889.png b/train/images/molecule_889.png new file mode 100644 index 0000000000000000000000000000000000000000..5c64c84a3f7ce84d1a1860eaec607018c8ad23f0 --- /dev/null +++ b/train/images/molecule_889.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c42e4f44831f25e0cf28d51f33d821ddfd0cfe5bd38150687e7cd26e7784f680 +size 15084 diff --git a/train/images/molecule_89.png b/train/images/molecule_89.png new file mode 100644 index 0000000000000000000000000000000000000000..9076b4822e7034e3733caeb29b2e5e5959226dda --- /dev/null +++ b/train/images/molecule_89.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b55014c722edc2864dbed62ad791eebcae5d7a525598632127e30c9b04c35dde +size 11987 diff --git a/train/images/molecule_890.png b/train/images/molecule_890.png new file mode 100644 index 0000000000000000000000000000000000000000..44d28df8d465bd359a17b55111b01ed0f2c6c737 --- /dev/null +++ b/train/images/molecule_890.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c41f35e37edfd70c3392e29682145eadc98dafc97ed9a4595f8b9a581996845 +size 9942 diff --git a/train/images/molecule_891.png b/train/images/molecule_891.png new file mode 100644 index 0000000000000000000000000000000000000000..b1495bc7d91c67a614cb6d308870f2c387017e2e --- /dev/null +++ b/train/images/molecule_891.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:daa0140af9d37045e38c851f9a3649512f42235ed5c0f51740b0c31afe64fe8a +size 11620 diff --git a/train/images/molecule_892.png b/train/images/molecule_892.png new file mode 100644 index 0000000000000000000000000000000000000000..f0951f0b0f9c284ff4af175d7a4a6aedb64a3728 --- /dev/null +++ b/train/images/molecule_892.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2c47a8afe013cebf3c0c254e5f76afac3d5a95ca4d7f6a2608e0b418dde1d21e +size 11660 diff --git a/train/images/molecule_893.png b/train/images/molecule_893.png new file mode 100644 index 0000000000000000000000000000000000000000..d8fb99eb1deb8f265c8798d09201c79b8d44ca72 --- /dev/null +++ b/train/images/molecule_893.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1917c02415a9a0ba72e30237cfed2b0a95f849286053dedca8373d30e081204e +size 13119 diff --git a/train/images/molecule_894.png b/train/images/molecule_894.png new file mode 100644 index 0000000000000000000000000000000000000000..c515a87ce8ec94c54189033f2a8134f32b1508a0 --- /dev/null +++ b/train/images/molecule_894.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c53e4f16c785ce856e437efccdac97e616bffefc2b5bc08c43a1b98794fac03 +size 11097 diff --git a/train/images/molecule_895.png b/train/images/molecule_895.png new file mode 100644 index 0000000000000000000000000000000000000000..aa63c7ce47a38c8a2f32b78553cb9d008f1ab470 --- /dev/null +++ b/train/images/molecule_895.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1b30998cf427adc2f8c269615adba564e096f6f67a50b6b718958d29fded46a8 +size 11711 diff --git a/train/images/molecule_896.png b/train/images/molecule_896.png new file mode 100644 index 0000000000000000000000000000000000000000..9725bf23e54731d4c010ddbf607b5a1eb33f080a --- /dev/null +++ b/train/images/molecule_896.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25746a1106ffff21a513a993a4fcc205aaa5984a458526f619596851223bb650 +size 9680 diff --git a/train/images/molecule_897.png b/train/images/molecule_897.png new file mode 100644 index 0000000000000000000000000000000000000000..208f8f3a4cf2c25b06f9cc81ab4bc51acc98a3cf --- /dev/null +++ b/train/images/molecule_897.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:33db3d18b9b5e7cedab859cecc3f09670c9fe9862be3a5a864a69adedd4f6568 +size 10782 diff --git a/train/images/molecule_898.png b/train/images/molecule_898.png new file mode 100644 index 0000000000000000000000000000000000000000..a1c4f942bfcf2a456ad148fac1be730a42e87007 --- /dev/null +++ b/train/images/molecule_898.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:59f3ed1691a11b7f43b0a2ead6017ef3a6fd17b2367d0e424cc1cd3b56860208 +size 12179 diff --git a/train/images/molecule_899.png b/train/images/molecule_899.png new file mode 100644 index 0000000000000000000000000000000000000000..c515a87ce8ec94c54189033f2a8134f32b1508a0 --- /dev/null +++ b/train/images/molecule_899.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c53e4f16c785ce856e437efccdac97e616bffefc2b5bc08c43a1b98794fac03 +size 11097 diff --git a/train/images/molecule_9.png b/train/images/molecule_9.png new file mode 100644 index 0000000000000000000000000000000000000000..e587260c886a5276407e1df39443e991a157a812 --- /dev/null +++ b/train/images/molecule_9.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b3dc5e1ead03c6782639012b7126390a12c199c43f1d97203f102609bc1c52b5 +size 12084 diff --git a/train/images/molecule_90.png b/train/images/molecule_90.png new file mode 100644 index 0000000000000000000000000000000000000000..efaceceb68e1a8fa780f654cbafc197075e06b07 --- /dev/null +++ b/train/images/molecule_90.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:76f7324c0dd1f12a7c23088b64c4277705f27bb4ce653173e47f11a9d96c2db7 +size 10818 diff --git a/train/images/molecule_900.png b/train/images/molecule_900.png new file mode 100644 index 0000000000000000000000000000000000000000..8918f92b8d8b834a6571b0364207fd5864043767 --- /dev/null +++ b/train/images/molecule_900.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54fdac89cbe5fdc2fa70c697e326ac97f6a7030c3e5bd67a321f1e2b7b527bba +size 10448 diff --git a/train/images/molecule_901.png b/train/images/molecule_901.png new file mode 100644 index 0000000000000000000000000000000000000000..20ce1ba934feecb398bad6b814691e4e837a6aec --- /dev/null +++ b/train/images/molecule_901.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:39ea1604193df0797c662e81a02212a7798bf1a1eaaa3b793a016d74d5827c2b +size 8913 diff --git a/train/images/molecule_902.png b/train/images/molecule_902.png new file mode 100644 index 0000000000000000000000000000000000000000..ebdc9f470ad86c7f5cd9e4e6af3f56e86bbe3327 --- /dev/null +++ b/train/images/molecule_902.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f586a9fb4e5a1fec01c1712c0fd5065ecd173084211c968c20c0c0867c4f739 +size 8638 diff --git a/train/images/molecule_903.png b/train/images/molecule_903.png new file mode 100644 index 0000000000000000000000000000000000000000..d301b8bf466a0a98fb7c127aca38fbdfe6e9df87 --- /dev/null +++ b/train/images/molecule_903.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e6592aac7fdf1fc0def64c13466f170dc563ecb5f6da3826c23ff5bb2a9245a +size 9028 diff --git a/train/images/molecule_904.png b/train/images/molecule_904.png new file mode 100644 index 0000000000000000000000000000000000000000..4648b0b7f89fdcde9e24b6ef1184cfed143d56b7 --- /dev/null +++ b/train/images/molecule_904.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f00b1b1980b7b9a93af4d9b6a4d38ba5125ca809f3747f9b91645084f99be4cf +size 11041 diff --git a/train/images/molecule_905.png b/train/images/molecule_905.png new file mode 100644 index 0000000000000000000000000000000000000000..187bae2e9484a1361b4f826d0ccd72c69f3c3342 --- /dev/null +++ b/train/images/molecule_905.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:29955d9827fab13288a1cc2c0f73ea9555e7ccf0655431d985e02ba270a27b5d +size 14350 diff --git a/train/images/molecule_906.png b/train/images/molecule_906.png new file mode 100644 index 0000000000000000000000000000000000000000..261a87864ccda20b522409788d20cfbbd0b7e465 --- /dev/null +++ b/train/images/molecule_906.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4370d304d9e04068ba83efb1cfb6430b7887a9fdd035c50d690ef504a3be5c4d +size 9563 diff --git a/train/images/molecule_907.png b/train/images/molecule_907.png new file mode 100644 index 0000000000000000000000000000000000000000..46ddc930a5e90370c1ca56f7d19c200710f7d343 --- /dev/null +++ b/train/images/molecule_907.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ac5bbdb412996537c5429195dc5093f1cf91902c6d36e6e252bbf2a72113e16 +size 13207 diff --git a/train/images/molecule_908.png b/train/images/molecule_908.png new file mode 100644 index 0000000000000000000000000000000000000000..645ebf0b79fa6ca4bf45e5ec1ecef80d2c470431 --- /dev/null +++ b/train/images/molecule_908.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:003485c15b1581c9821dcc54c7b0f19dbc4af162920daa63a6c625620e88c3e1 +size 12454 diff --git a/train/images/molecule_909.png b/train/images/molecule_909.png new file mode 100644 index 0000000000000000000000000000000000000000..671cee00a9c60101d3846b612b1276d0fef049a8 --- /dev/null +++ b/train/images/molecule_909.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:022c5508c1b04d5404aebc5845cd838bdba9d9c456e0042c0a5d1168b7203d2e +size 11596 diff --git a/train/images/molecule_91.png b/train/images/molecule_91.png new file mode 100644 index 0000000000000000000000000000000000000000..64483fe4f297ec825d48545d0df8a4a34e624775 --- /dev/null +++ b/train/images/molecule_91.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:97a45789bdd408383407fc35cdf39ba3d989bef1d4b79f3c0fccb0ce52f418a2 +size 10197 diff --git a/train/images/molecule_910.png b/train/images/molecule_910.png new file mode 100644 index 0000000000000000000000000000000000000000..cf7f1e4ee19edc47debb836686da8d63ece4383d --- /dev/null +++ b/train/images/molecule_910.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a32a98f0a8f4ac45cc211fdd43fff7c899762bd9bb86637d84e5144ecf43ef97 +size 8127 diff --git a/train/images/molecule_911.png b/train/images/molecule_911.png new file mode 100644 index 0000000000000000000000000000000000000000..7560bcbda914004fae220601d4727b61f911972f --- /dev/null +++ b/train/images/molecule_911.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c95c3daff1e4bd3ed69c3d66ba834fd7fa5238ae393aa8678fda29e2ce11b589 +size 10805 diff --git a/train/images/molecule_912.png b/train/images/molecule_912.png new file mode 100644 index 0000000000000000000000000000000000000000..13fd0193c1da2e966c763aa28536030bfd35aa17 --- /dev/null +++ b/train/images/molecule_912.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:87adaa9dcc1d6ca102545e73d2131d86b37e8f31679258652efb027030d4c0a7 +size 11434 diff --git a/train/images/molecule_913.png b/train/images/molecule_913.png new file mode 100644 index 0000000000000000000000000000000000000000..78223d9877a863809b8eebfc1f1ead97a290e1ca --- /dev/null +++ b/train/images/molecule_913.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e7bc0f00f6e87518d24ecd640d8a08d7bce424b21f1d43ba1706c8ecf24c9be8 +size 9419 diff --git a/train/images/molecule_914.png b/train/images/molecule_914.png new file mode 100644 index 0000000000000000000000000000000000000000..0b3e6ce4ed5494e637bc9ba6f1b40fbcb0aae386 --- /dev/null +++ b/train/images/molecule_914.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d0bf3d9d65c0b0ec2ab4d7f933d2148db87bd306c543ce22fd863c4c8cfd9042 +size 13510 diff --git a/train/images/molecule_915.png b/train/images/molecule_915.png new file mode 100644 index 0000000000000000000000000000000000000000..0efd4423fb6783e4a7e2acf343aacd97a748af0c --- /dev/null +++ b/train/images/molecule_915.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:feab966309108ea40391e846293020b8e5af6de0ea15751ea00d73799a05fba9 +size 8849 diff --git a/train/images/molecule_916.png b/train/images/molecule_916.png new file mode 100644 index 0000000000000000000000000000000000000000..07ee7d2bd8ea701dccfd6cfcf1866ed8da1d8d07 --- /dev/null +++ b/train/images/molecule_916.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:857bcbc146594f1ae4fa3d8ba941e57beef094aa27633259db508a565252a524 +size 11387 diff --git a/train/images/molecule_917.png b/train/images/molecule_917.png new file mode 100644 index 0000000000000000000000000000000000000000..146205338389cd866a6ea544d0e5cf988674d650 --- /dev/null +++ b/train/images/molecule_917.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:45dbdb118c0b568118af0d74bb9338c60c7e140b908120fd4fc49406638ca13f +size 11812 diff --git a/train/images/molecule_918.png b/train/images/molecule_918.png new file mode 100644 index 0000000000000000000000000000000000000000..39748e829b3b36e6c3324bbe512b1a4115a0da67 --- /dev/null +++ b/train/images/molecule_918.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:eaa0d17ab07fc1d44db8591e3bcede440996ef69ce19355610e782ab9afd18ff +size 7686 diff --git a/train/images/molecule_919.png b/train/images/molecule_919.png new file mode 100644 index 0000000000000000000000000000000000000000..040e50d66206cbb7b748814ee0393a9f9c5ddfe1 --- /dev/null +++ b/train/images/molecule_919.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6fb720fed73a266b725977b0672d984c71e06c9334be4d024c9200cd157d6b9d +size 8667 diff --git a/train/images/molecule_92.png b/train/images/molecule_92.png new file mode 100644 index 0000000000000000000000000000000000000000..d0290ecdb29a120882fb161f0fb9a22c90d3baf2 --- /dev/null +++ b/train/images/molecule_92.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b8826bf73352239f7f529a4714e90a50055a687b4a11dc447a1d83552ab660b1 +size 13767 diff --git a/train/images/molecule_920.png b/train/images/molecule_920.png new file mode 100644 index 0000000000000000000000000000000000000000..6c060c2c8a83f17bc69d50eec56a40e415dc3f90 --- /dev/null +++ b/train/images/molecule_920.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8041ed69e688d8a6932cb6fbc8cf93cec07df4942c8bd986720c028060d94daa +size 11164 diff --git a/train/images/molecule_921.png b/train/images/molecule_921.png new file mode 100644 index 0000000000000000000000000000000000000000..f23b2c0e1301d8f2deb8ae788e9e8506bcfbb35b --- /dev/null +++ b/train/images/molecule_921.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cc19493ce0f3a6aebaba38d9e9fcf4c8d91e0875aee2d7cc2a7bbb27de08b32b +size 11888 diff --git a/train/images/molecule_922.png b/train/images/molecule_922.png new file mode 100644 index 0000000000000000000000000000000000000000..a1f506c145f91a1cea976a54e1630ebe3ef6017e --- /dev/null +++ b/train/images/molecule_922.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a7b309ea4d3e248190b18e1ad24de1b2fb1ca391ae0a49093b817587d765f7d0 +size 10581 diff --git a/train/images/molecule_923.png b/train/images/molecule_923.png new file mode 100644 index 0000000000000000000000000000000000000000..1f2b81499ce62e3bd3e5ecdd33f51b8a280c1f94 --- /dev/null +++ b/train/images/molecule_923.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1ffeca1ffd8d4cca81358d7039f18fdc288bc1974faa73f67a80fd37e91a19a +size 9609 diff --git a/train/images/molecule_924.png b/train/images/molecule_924.png new file mode 100644 index 0000000000000000000000000000000000000000..7ce3af32c88284fad65eed38e7d2987987453a75 --- /dev/null +++ b/train/images/molecule_924.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:864ac1c960b24f2da63b61a19f941a880a2f5e867908f7a586eec67b320ff9e6 +size 13087 diff --git a/train/images/molecule_925.png b/train/images/molecule_925.png new file mode 100644 index 0000000000000000000000000000000000000000..2de5d4f58f7ec905d97e2e9ca2e9d29234c90222 --- /dev/null +++ b/train/images/molecule_925.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c5bc14d5243fb822a4f37b1e6e58ed116d9e978547b59de27014ca74957865a8 +size 11060 diff --git a/train/images/molecule_926.png b/train/images/molecule_926.png new file mode 100644 index 0000000000000000000000000000000000000000..3b71cc0357314a7484c1c11cfe67222a9d3566c7 --- /dev/null +++ b/train/images/molecule_926.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d3b0897816883d93bc4f77b3cc4d968e40f5d1c37f2fbc5cde7423efe19540a5 +size 12899 diff --git a/train/images/molecule_927.png b/train/images/molecule_927.png new file mode 100644 index 0000000000000000000000000000000000000000..5dea56fb31b24b8bc7204b6cab5f357149e32bd9 --- /dev/null +++ b/train/images/molecule_927.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:065507a03bf765439cebf3fd9d1e3e9d8687d169347e812f84061982a38729b1 +size 10251 diff --git a/train/images/molecule_928.png b/train/images/molecule_928.png new file mode 100644 index 0000000000000000000000000000000000000000..493c09b914a367a9eb384929b5106709aa716e5d --- /dev/null +++ b/train/images/molecule_928.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:db09f8e5f8eff5e019e7816ef9a94ca609dcd52cc32ef5741b7d04ada837f0f7 +size 8752 diff --git a/train/images/molecule_929.png b/train/images/molecule_929.png new file mode 100644 index 0000000000000000000000000000000000000000..820a31861e33a1c6da026d0dca28ef58ba393b8c --- /dev/null +++ b/train/images/molecule_929.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9945a34faaa3fa2fff512d6d982f91dee8c4b7ae907d91f472ce751b35c0f48b +size 11304 diff --git a/train/images/molecule_93.png b/train/images/molecule_93.png new file mode 100644 index 0000000000000000000000000000000000000000..ab0a579c21cc88d2c21003dff6215a3d12788df8 --- /dev/null +++ b/train/images/molecule_93.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:10433367dddaf2354e2d979482b31a5e75a9d6edcdaaebf4f50e4e092d635f26 +size 9845 diff --git a/train/images/molecule_930.png b/train/images/molecule_930.png new file mode 100644 index 0000000000000000000000000000000000000000..7c4830728b88abec3a62784f97f585bbc8068443 --- /dev/null +++ b/train/images/molecule_930.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c439ccbd3c4ec70774f861a3a678d6110087d62f2cc43fc49babf9dccaf2fbf +size 10926 diff --git a/train/images/molecule_931.png b/train/images/molecule_931.png new file mode 100644 index 0000000000000000000000000000000000000000..e5d5f1cba9a1cd7bb5f51ce266ca6af305c8d70b --- /dev/null +++ b/train/images/molecule_931.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e8cfd31bf3cf45a37dce577b486db66a1ab4930a4d51e0d607a1b77db27c439b +size 12612 diff --git a/train/images/molecule_932.png b/train/images/molecule_932.png new file mode 100644 index 0000000000000000000000000000000000000000..7dd9fd62d4c8d7d8a4bc9e11c9cadf2c4fa9dbef --- /dev/null +++ b/train/images/molecule_932.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:fa0b33663648a4c7b9efd7a55e9cdbd6a2e161131126473403558dd418109624 +size 9796 diff --git a/train/images/molecule_933.png b/train/images/molecule_933.png new file mode 100644 index 0000000000000000000000000000000000000000..c2c0158d34aa58bb93e27828aa371c365c28fd6b --- /dev/null +++ b/train/images/molecule_933.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88b8222654e8ac042e5d6e5ee52ed31679fade495cecc4f06ba50007c2d04f54 +size 12062 diff --git a/train/images/molecule_934.png b/train/images/molecule_934.png new file mode 100644 index 0000000000000000000000000000000000000000..f5bb87bfd8a6af1a698993ae6fc15b996ab943ad --- /dev/null +++ b/train/images/molecule_934.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0e919df026c8a6d6f92674dceb85caf403bcefe403871177abb509dd3e5d1fa4 +size 12294 diff --git a/train/images/molecule_935.png b/train/images/molecule_935.png new file mode 100644 index 0000000000000000000000000000000000000000..4f081e0ff544f4f31fc495c1f15465f973e8185b --- /dev/null +++ b/train/images/molecule_935.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:71d6dc774c57181ce065a9a7f6672c57443b8d697a8aa31302631d24ad5436c3 +size 11527 diff --git a/train/images/molecule_936.png b/train/images/molecule_936.png new file mode 100644 index 0000000000000000000000000000000000000000..af250d3fdb7298be101797eebe12827487877ba7 --- /dev/null +++ b/train/images/molecule_936.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a728a846fdd086c649797a8ebf918b1e3e98e34b5df9f8c1828339106001c80c +size 11781 diff --git a/train/images/molecule_937.png b/train/images/molecule_937.png new file mode 100644 index 0000000000000000000000000000000000000000..704549f315409f1323c6e1e2df374ef05567fe57 --- /dev/null +++ b/train/images/molecule_937.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:14a19085bfc575836b3666eeb80b52353a1efbde08de4d5bc384266336b30c53 +size 9880 diff --git a/train/images/molecule_938.png b/train/images/molecule_938.png new file mode 100644 index 0000000000000000000000000000000000000000..123fc957e92706ba64ecabcf733e0c2b99d2fb46 --- /dev/null +++ b/train/images/molecule_938.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1249743b80b892c985c2688c144525333de49fff6cfdfb5996b6b06fd05adab8 +size 14634 diff --git a/train/images/molecule_939.png b/train/images/molecule_939.png new file mode 100644 index 0000000000000000000000000000000000000000..bb05048f2cfa48515b268f98292552377592512a --- /dev/null +++ b/train/images/molecule_939.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6e11cd587bae867baa0d6a36ab541133bcf909d190f9c0302f783bf27ce6be22 +size 13102 diff --git a/train/images/molecule_94.png b/train/images/molecule_94.png new file mode 100644 index 0000000000000000000000000000000000000000..43df04f574d06f3f340feddf7eb9586cc02ee117 --- /dev/null +++ b/train/images/molecule_94.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ce7fd867b9275f8a5c9597dd9aff5a4acc77648f65e0af250dc4cde0601dce2e +size 10215 diff --git a/train/images/molecule_940.png b/train/images/molecule_940.png new file mode 100644 index 0000000000000000000000000000000000000000..c031bb0c458b7ed6434a6d6d84bbd920c748958c --- /dev/null +++ b/train/images/molecule_940.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f60dcb9d161f402e8f571cffc8eeaa456188fb95f27376f9ad89bfe87e5b5c9d +size 10942 diff --git a/train/images/molecule_941.png b/train/images/molecule_941.png new file mode 100644 index 0000000000000000000000000000000000000000..6e2b23e4216c6f4cd805de0930c9545e4150d91d --- /dev/null +++ b/train/images/molecule_941.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1a653cda4a4ec030ad4a91c0df19da4edb469d480526828fabac395707bf9fa4 +size 12892 diff --git a/train/images/molecule_942.png b/train/images/molecule_942.png new file mode 100644 index 0000000000000000000000000000000000000000..5f0a66f92e12b6fce7c0c23c4c8e9d2bc1ad68cc --- /dev/null +++ b/train/images/molecule_942.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25ec7abca989d9ea02482dd31e601b2ec7f3a56e4aaa1c06685bc2a96ac354e1 +size 12594 diff --git a/train/images/molecule_943.png b/train/images/molecule_943.png new file mode 100644 index 0000000000000000000000000000000000000000..f8f5a86d7e95af30dfa5da413658449400c1846a --- /dev/null +++ b/train/images/molecule_943.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a458a2b639bd4d1690537f03ed91d5d3e436d382099993e7b746699e49572494 +size 11214 diff --git a/train/images/molecule_944.png b/train/images/molecule_944.png new file mode 100644 index 0000000000000000000000000000000000000000..90531770bcba724906cfcc1542b2b2c5ae27912e --- /dev/null +++ b/train/images/molecule_944.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:53d553003708b2219287dbb681db3beb98f4d47599664dd3e4133e14142d35bd +size 13922 diff --git a/train/images/molecule_945.png b/train/images/molecule_945.png new file mode 100644 index 0000000000000000000000000000000000000000..e39b86bb869f65646108598c174ba81eab520a3f --- /dev/null +++ b/train/images/molecule_945.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ff7f9a5ab1d5d98ada90322a272b009e5a0c7af86a66076dec2709eddb03470f +size 10498 diff --git a/train/images/molecule_946.png b/train/images/molecule_946.png new file mode 100644 index 0000000000000000000000000000000000000000..211c22ef49c6816643c20a936e562b145b8c887e --- /dev/null +++ b/train/images/molecule_946.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:71f1a13ab1a410adc9aa9c1b20c2d5a3bb36a71f3c6b5bdc7f6bf28574e10473 +size 10381 diff --git a/train/images/molecule_947.png b/train/images/molecule_947.png new file mode 100644 index 0000000000000000000000000000000000000000..92b9447347e6f4e9061080ca4bf177b8e87f3359 --- /dev/null +++ b/train/images/molecule_947.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:14b077fbafed005e7b25b0288190dbec3c59003d624b5eb00e73b303fad62528 +size 8359 diff --git a/train/images/molecule_948.png b/train/images/molecule_948.png new file mode 100644 index 0000000000000000000000000000000000000000..782ad3a6f179a44196886b2c7c30e57d69c7f54a --- /dev/null +++ b/train/images/molecule_948.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:313c04b244b608af4ffdf831c1afc8e9a045a8d6dd02b3b25e72ece35fec1331 +size 7311 diff --git a/train/images/molecule_949.png b/train/images/molecule_949.png new file mode 100644 index 0000000000000000000000000000000000000000..b1827893f1b0509eec37ca5f26e5efbcbe65796d --- /dev/null +++ b/train/images/molecule_949.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:83fea9de47fd4755b741fdff1a8e19b679fb1ca67d9e8dc29c05afd72699b1b0 +size 13314 diff --git a/train/images/molecule_95.png b/train/images/molecule_95.png new file mode 100644 index 0000000000000000000000000000000000000000..436830d55564bcb57d00ffa88a2d38f74a00487c --- /dev/null +++ b/train/images/molecule_95.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ebdaab33e9bc38b615728c090f014bf473873eea0c316a31487c7c7b813a57f7 +size 13587 diff --git a/train/images/molecule_950.png b/train/images/molecule_950.png new file mode 100644 index 0000000000000000000000000000000000000000..3b84fdd5c4d2d2550d3d04a6a1f52fd250ef52c4 --- /dev/null +++ b/train/images/molecule_950.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1672eaa514cea3f0a13d2a6a54597bc1f3fbb530addcc320da1cc270e9f7f43 +size 11573 diff --git a/train/images/molecule_951.png b/train/images/molecule_951.png new file mode 100644 index 0000000000000000000000000000000000000000..aa76862805f9389c551c8055cdfb9a1f7db95562 --- /dev/null +++ b/train/images/molecule_951.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2fa0bf971ad22b907c393821f2ba14929d1f4a16ea0aa8f9b2b4b6f55ac91998 +size 11990 diff --git a/train/images/molecule_952.png b/train/images/molecule_952.png new file mode 100644 index 0000000000000000000000000000000000000000..a0cfb5201e2aea027f7db2ec4c27c1909196f079 --- /dev/null +++ b/train/images/molecule_952.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a641b142ffa83f36c6a4095f3a2848503a28a6658a668ea57372b944f10ef196 +size 13426 diff --git a/train/images/molecule_953.png b/train/images/molecule_953.png new file mode 100644 index 0000000000000000000000000000000000000000..c12eb28a9f4161bd14e87678f980e4acb562bfbb --- /dev/null +++ b/train/images/molecule_953.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9834ef7cb162a357cd480bafb03d84c9db9a98a1a9bcd26a279cd58b267c089c +size 15188 diff --git a/train/images/molecule_954.png b/train/images/molecule_954.png new file mode 100644 index 0000000000000000000000000000000000000000..20346e95b79c1184c75f66b02f3b8d96c00cbf61 --- /dev/null +++ b/train/images/molecule_954.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7a9f1f05944d24e8279fefea59a1b1867a0d2d181927580d7aa2b9d51b3e9176 +size 10755 diff --git a/train/images/molecule_955.png b/train/images/molecule_955.png new file mode 100644 index 0000000000000000000000000000000000000000..fb46a5d9f36e0e9227329db735a8853761b8c834 --- /dev/null +++ b/train/images/molecule_955.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1b8adf1e897834a158d463f074973e75d84b86361a31b81f25364dbdd11dae1 +size 11902 diff --git a/train/images/molecule_956.png b/train/images/molecule_956.png new file mode 100644 index 0000000000000000000000000000000000000000..d59a327e4bb183468b04f399e8cf981d6b46896a --- /dev/null +++ b/train/images/molecule_956.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f2f7fefa81463eb431a5448ac76a3747c5ac8ce6ab71efd485c75495e6a6de63 +size 11271 diff --git a/train/images/molecule_957.png b/train/images/molecule_957.png new file mode 100644 index 0000000000000000000000000000000000000000..55fa7eb70869ce53b744ef86df3d889a82224988 --- /dev/null +++ b/train/images/molecule_957.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3d7ca24b1925595c3f5c0c415b11e98630e25b5f41b6e429db26d6d9c3204dbe +size 9581 diff --git a/train/images/molecule_958.png b/train/images/molecule_958.png new file mode 100644 index 0000000000000000000000000000000000000000..a1dd37b10b69bdb8d23df7b88d637cc474843450 --- /dev/null +++ b/train/images/molecule_958.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3b18300c79d98ffcd652702a768103c78b6fae30e5d8f862a57a4b45b853c71e +size 8768 diff --git a/train/images/molecule_959.png b/train/images/molecule_959.png new file mode 100644 index 0000000000000000000000000000000000000000..55fa7eb70869ce53b744ef86df3d889a82224988 --- /dev/null +++ b/train/images/molecule_959.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3d7ca24b1925595c3f5c0c415b11e98630e25b5f41b6e429db26d6d9c3204dbe +size 9581 diff --git a/train/images/molecule_96.png b/train/images/molecule_96.png new file mode 100644 index 0000000000000000000000000000000000000000..39cadb498433a50267463483143a5a4647ee9c94 --- /dev/null +++ b/train/images/molecule_96.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d81276c52ba1ab44da8772a74fb3e24d44c4b15c74cb7eed9737adb01011515 +size 11105 diff --git a/train/images/molecule_960.png b/train/images/molecule_960.png new file mode 100644 index 0000000000000000000000000000000000000000..2b6c56bcfd16b16486eed40f180f0626f7caa5d9 --- /dev/null +++ b/train/images/molecule_960.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b15c0544fa608d2d141ff791f61e99c8dc160dc2ee5bc3e33800368522f8f814 +size 8947 diff --git a/train/images/molecule_961.png b/train/images/molecule_961.png new file mode 100644 index 0000000000000000000000000000000000000000..f23b2c0e1301d8f2deb8ae788e9e8506bcfbb35b --- /dev/null +++ b/train/images/molecule_961.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cc19493ce0f3a6aebaba38d9e9fcf4c8d91e0875aee2d7cc2a7bbb27de08b32b +size 11888 diff --git a/train/images/molecule_962.png b/train/images/molecule_962.png new file mode 100644 index 0000000000000000000000000000000000000000..e3e43944e8014881dc5b9ca0a6a6775b7832b49c --- /dev/null +++ b/train/images/molecule_962.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d38352047f3a4f461e71fa32c1ddf964adc800202b90601be592fc194bd8305b +size 8991 diff --git a/train/images/molecule_963.png b/train/images/molecule_963.png new file mode 100644 index 0000000000000000000000000000000000000000..18d96723286657d784e8a4ded55dc8fdf2341dbc --- /dev/null +++ b/train/images/molecule_963.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bfc08a2a8058f6faa4effb1dafeed97a541a7ae96ecb1a8f44c159c59a57d693 +size 10707 diff --git a/train/images/molecule_964.png b/train/images/molecule_964.png new file mode 100644 index 0000000000000000000000000000000000000000..795376f30e1a253bde8672d5cdb1a6df9ae08ae6 --- /dev/null +++ b/train/images/molecule_964.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d2404fe71d10b331e7e87c2fe6a6138ff165344c48977637a7c86921b794b1b4 +size 12208 diff --git a/train/images/molecule_965.png b/train/images/molecule_965.png new file mode 100644 index 0000000000000000000000000000000000000000..bc9c61fb4956acf2fa95bad5a8b3fd8ffd89e60e --- /dev/null +++ b/train/images/molecule_965.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d130e93a8304f6dc7c025bf52ecd6008a60cd4ffbd1e905dc14e3ed16c46aab8 +size 10309 diff --git a/train/images/molecule_966.png b/train/images/molecule_966.png new file mode 100644 index 0000000000000000000000000000000000000000..0cbb0ace327378a650cce5cd069637e5ee151a46 --- /dev/null +++ b/train/images/molecule_966.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b80f36fb0a588d1d7dc998cda345a79728b5b92bd6ed307eea269259f73b56ef +size 10823 diff --git a/train/images/molecule_967.png b/train/images/molecule_967.png new file mode 100644 index 0000000000000000000000000000000000000000..c97a75a87dd7e10b0e006d789c8ed4fae6a65d6f --- /dev/null +++ b/train/images/molecule_967.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:19faadf5e2ffa15145cec6cb3ddb5804e3a231b521e17447165adaa9cafaf48d +size 9573 diff --git a/train/images/molecule_968.png b/train/images/molecule_968.png new file mode 100644 index 0000000000000000000000000000000000000000..39cadb498433a50267463483143a5a4647ee9c94 --- /dev/null +++ b/train/images/molecule_968.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d81276c52ba1ab44da8772a74fb3e24d44c4b15c74cb7eed9737adb01011515 +size 11105 diff --git a/train/images/molecule_969.png b/train/images/molecule_969.png new file mode 100644 index 0000000000000000000000000000000000000000..7d6f36605c66ea4dd6552949957edb84c4c1a210 --- /dev/null +++ b/train/images/molecule_969.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:611e2d8158d1b6f66935c4617452f3cae1034bb675eba7ae910d858721906061 +size 12688 diff --git a/train/images/molecule_97.png b/train/images/molecule_97.png new file mode 100644 index 0000000000000000000000000000000000000000..2348c3b4661969d1669d6a35011e0fdea28b1ca0 --- /dev/null +++ b/train/images/molecule_97.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9aaf60f623ae30f531aa13c7e9ee33058ca08e8f2ad4d4a6b79545ca54587cb5 +size 11113 diff --git a/train/images/molecule_970.png b/train/images/molecule_970.png new file mode 100644 index 0000000000000000000000000000000000000000..ef43450e738ed9c00f6cb9ecbea55b6ca79f1c09 --- /dev/null +++ b/train/images/molecule_970.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0ed6531984536256d527ffdbf1fbb37cc01a567219e2ac003827c01e60491c66 +size 14220 diff --git a/train/images/molecule_971.png b/train/images/molecule_971.png new file mode 100644 index 0000000000000000000000000000000000000000..0ab81f86fbc15b0de772c8a2ffc9da7bf5ce17b2 --- /dev/null +++ b/train/images/molecule_971.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2fe872805b5b0be946ba2972d9d096c839bef46eb4b294939a020c5801385ed1 +size 12113 diff --git a/train/images/molecule_972.png b/train/images/molecule_972.png new file mode 100644 index 0000000000000000000000000000000000000000..5ad92ef3892ddc0dfd79e0740d970f90cd4b8a56 --- /dev/null +++ b/train/images/molecule_972.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e225cdab586bbdb934bb4d934634cdd4356c8a1772de75505463e6ea6ca35e69 +size 9998 diff --git a/train/images/molecule_973.png b/train/images/molecule_973.png new file mode 100644 index 0000000000000000000000000000000000000000..1c164ddac278c209ffdcee43df522ed67b1fd674 --- /dev/null +++ b/train/images/molecule_973.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:13a45e744612ee132c821b9eb31b48d6b1d1525a366696b35f9560f7303af6c2 +size 11205 diff --git a/train/images/molecule_974.png b/train/images/molecule_974.png new file mode 100644 index 0000000000000000000000000000000000000000..d5d8ac03a28a9fcfe89debebfbd5b1f774c80002 --- /dev/null +++ b/train/images/molecule_974.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c833c5e38ed5a5db49f02241cbdda841db1329d17e166fad765565f47bbfc65b +size 12095 diff --git a/train/images/molecule_975.png b/train/images/molecule_975.png new file mode 100644 index 0000000000000000000000000000000000000000..68d1acb112b4453fcae49938d75646f9ca2890a1 --- /dev/null +++ b/train/images/molecule_975.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6976af3626fc2f002793571effe2f9f503d7a94531f0913b04bc37a6f26ad0af +size 11607 diff --git a/train/images/molecule_976.png b/train/images/molecule_976.png new file mode 100644 index 0000000000000000000000000000000000000000..ac42d846c1ab74bfa4b6fc0aa08de0585422bc6e --- /dev/null +++ b/train/images/molecule_976.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:11678a975465311650a7650e9d273e1a57b38f245e480b35592bfd0e7e48d094 +size 8739 diff --git a/train/images/molecule_977.png b/train/images/molecule_977.png new file mode 100644 index 0000000000000000000000000000000000000000..d1ed045217bb5c6aa3903a24cbbf53d070260d68 --- /dev/null +++ b/train/images/molecule_977.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:4f0918dcf7361e451d77b3bb66c38d8acc775e5db0c9f4379d33b4d341d6c3bf +size 11561 diff --git a/train/images/molecule_978.png b/train/images/molecule_978.png new file mode 100644 index 0000000000000000000000000000000000000000..ae48b72f8cfe22d06c0428bdd0355de361e8fe78 --- /dev/null +++ b/train/images/molecule_978.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3ddc65f918a6796c44efd29d9886c16a837330eafc77f171ad8da4da3ff31f84 +size 10970 diff --git a/train/images/molecule_979.png b/train/images/molecule_979.png new file mode 100644 index 0000000000000000000000000000000000000000..7056c91acd36218bc6dfbf359280c0847c0fcfb7 --- /dev/null +++ b/train/images/molecule_979.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3f44f8080cf831b3fb55a841d491a3fa886d7764adcb24860073b61900a7a233 +size 8113 diff --git a/train/images/molecule_98.png b/train/images/molecule_98.png new file mode 100644 index 0000000000000000000000000000000000000000..a94c31164b0d7b9873a597ef9517f9e72690bac8 --- /dev/null +++ b/train/images/molecule_98.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cd5f9b430d97e3a0e2bf77825c14caf0c51a15c95dbd9c7f8f9978ab0ca4f724 +size 10177 diff --git a/train/images/molecule_980.png b/train/images/molecule_980.png new file mode 100644 index 0000000000000000000000000000000000000000..7b13b12e87d6a7af2b47d23c605a6ab7a4d38789 --- /dev/null +++ b/train/images/molecule_980.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5347f4b88df528dfa0e7c0a38481901c18a682151f3cea8ecc1d35b309dcee95 +size 7875 diff --git a/train/images/molecule_981.png b/train/images/molecule_981.png new file mode 100644 index 0000000000000000000000000000000000000000..5a877a72cac68bf1078c9ccad159012cb66c5341 --- /dev/null +++ b/train/images/molecule_981.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:54a50f69fa6928ef9e15a6d90c13ffbe7e973e059f5cbc7f3dcbebc34c7dcd95 +size 9163 diff --git a/train/images/molecule_982.png b/train/images/molecule_982.png new file mode 100644 index 0000000000000000000000000000000000000000..ad1c2fa885b681b2cd4ed136442f2bd51de706e7 --- /dev/null +++ b/train/images/molecule_982.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:be6e3c4330ecce6d105a3d8aad9bdfd1ccc9dfcbe51d18ce014144d37cba2568 +size 9612 diff --git a/train/images/molecule_983.png b/train/images/molecule_983.png new file mode 100644 index 0000000000000000000000000000000000000000..02fb6476d29f92e4edb4812efd9e4962b64022e7 --- /dev/null +++ b/train/images/molecule_983.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:ad7693af03f5d0fad1abecea23b7e43fd3e405f089d63c7d42fe74b993885027 +size 12529 diff --git a/train/images/molecule_984.png b/train/images/molecule_984.png new file mode 100644 index 0000000000000000000000000000000000000000..f23169f4f8c255ed28df18498f5257d03bce8c18 --- /dev/null +++ b/train/images/molecule_984.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:893e89f0d1f3e1f4bb87732772a96ad35c6a04a2e957dce24a5ee7fd100e75ee +size 13908 diff --git a/train/images/molecule_985.png b/train/images/molecule_985.png new file mode 100644 index 0000000000000000000000000000000000000000..cf7387e81f50e1d9819a42399631d79702b891b3 --- /dev/null +++ b/train/images/molecule_985.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:626d7a6ce3a054781bffd6f94174c3f0de4da351b969e8e834b99f3f41459bba +size 9806 diff --git a/train/images/molecule_986.png b/train/images/molecule_986.png new file mode 100644 index 0000000000000000000000000000000000000000..d68e2d6183d0e40ac5bb8560012198de0cd18688 --- /dev/null +++ b/train/images/molecule_986.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a10695ecf855186eff77836196d6e1f89155afe2ea6e6d5d68a3155c19953d04 +size 10997 diff --git a/train/images/molecule_987.png b/train/images/molecule_987.png new file mode 100644 index 0000000000000000000000000000000000000000..acb5e60d218fa4192647de028580c2bc9203d4db --- /dev/null +++ b/train/images/molecule_987.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:486f853f5b15bb63c7d4a8fdf0082c6254f3ad697996909d5a61a8949d073fff +size 10204 diff --git a/train/images/molecule_988.png b/train/images/molecule_988.png new file mode 100644 index 0000000000000000000000000000000000000000..9b200d91fea0fa5142d4c6ffe3e7521c7597d469 --- /dev/null +++ b/train/images/molecule_988.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7af672a55c7a70a175522f4c28d28c14740b50912ebc25077df11fcee10bf767 +size 11961 diff --git a/train/images/molecule_989.png b/train/images/molecule_989.png new file mode 100644 index 0000000000000000000000000000000000000000..5c64c84a3f7ce84d1a1860eaec607018c8ad23f0 --- /dev/null +++ b/train/images/molecule_989.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c42e4f44831f25e0cf28d51f33d821ddfd0cfe5bd38150687e7cd26e7784f680 +size 15084 diff --git a/train/images/molecule_99.png b/train/images/molecule_99.png new file mode 100644 index 0000000000000000000000000000000000000000..6e50fbdc1e1ccd755141330e77c60c43343714c8 --- /dev/null +++ b/train/images/molecule_99.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d87511837cdcd4e59069657eec9361d40e4827e63ec5dee03278f52f5ae87dbc +size 11279 diff --git a/train/images/molecule_990.png b/train/images/molecule_990.png new file mode 100644 index 0000000000000000000000000000000000000000..0bd0a90056d9fb1a7c233cecd150e7e6cc5f884e --- /dev/null +++ b/train/images/molecule_990.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:bd1dc83462eece8cf7598a548f8a9d21efff6432fe8f0dc3989794109abd72b6 +size 11650 diff --git a/train/images/molecule_991.png b/train/images/molecule_991.png new file mode 100644 index 0000000000000000000000000000000000000000..bb6c0294bab1cda4a5c6f554c5dc8ab76a7a4525 --- /dev/null +++ b/train/images/molecule_991.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:36f7ebc821878dbb0a8626e68ac9675348b99f2d219d68f043ebe3332b677cc7 +size 7487 diff --git a/train/images/molecule_992.png b/train/images/molecule_992.png new file mode 100644 index 0000000000000000000000000000000000000000..2cd452d867cf4ad7c8e69465bfab3e266dac35be --- /dev/null +++ b/train/images/molecule_992.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7295b35ed8c9fcf8a45de9ff7fa86a7be7c159fd01419b96c6553ee62fefed28 +size 14257 diff --git a/train/images/molecule_993.png b/train/images/molecule_993.png new file mode 100644 index 0000000000000000000000000000000000000000..43c2de4670cb24457983640f74760e12d66b9023 --- /dev/null +++ b/train/images/molecule_993.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:afbbcaa3597331b72a51b4383d620eec40cb788815018e9701b4247fc51fd16c +size 9899 diff --git a/train/images/molecule_994.png b/train/images/molecule_994.png new file mode 100644 index 0000000000000000000000000000000000000000..438cc4860acbb343916d5ef734c6fefed797b209 --- /dev/null +++ b/train/images/molecule_994.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b690f4ae7e1a963460a04549a1448ddefc1e48bfc6c14e5d7ce194c73cbb8d46 +size 8611 diff --git a/train/images/molecule_995.png b/train/images/molecule_995.png new file mode 100644 index 0000000000000000000000000000000000000000..c66d5ac76c8f999dcfed494939995715be52d16c --- /dev/null +++ b/train/images/molecule_995.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6476bad60c287f06e8973d015cedd9c2b434cf9f513c6ce81de38d733088fd99 +size 11541 diff --git a/train/images/molecule_996.png b/train/images/molecule_996.png new file mode 100644 index 0000000000000000000000000000000000000000..33ca508e221255c18420da090b49f0bcf6624530 --- /dev/null +++ b/train/images/molecule_996.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d82996d8ba96323d2b7a6b4b5e3ed10f3d35813fdfc2f0e19e0a58414fd80a13 +size 9404 diff --git a/train/images/molecule_997.png b/train/images/molecule_997.png new file mode 100644 index 0000000000000000000000000000000000000000..33fa8507a389e4466c522f4ddab5e7509307abc0 --- /dev/null +++ b/train/images/molecule_997.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5a450be5ac11ae9328ab487223297396cff821a5d57615ea6d22d4ab6b3de1b1 +size 8496 diff --git a/train/images/molecule_998.png b/train/images/molecule_998.png new file mode 100644 index 0000000000000000000000000000000000000000..5a5e90a2aa4722536c50ef3afbd16fb725512c9f --- /dev/null +++ b/train/images/molecule_998.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:80bed1d46a7b498e96e77712ac0a9d827483ea3be1b7e359636f10145b6e37e6 +size 10869 diff --git a/train/images/molecule_999.png b/train/images/molecule_999.png new file mode 100644 index 0000000000000000000000000000000000000000..e975b017960a0af3d0271fc817d9def7789bb141 --- /dev/null +++ b/train/images/molecule_999.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9dd67fed19d9fb611cf7904fc4464f992d5ade1986d82f2f097004df6ad1bf2b +size 9959 diff --git a/train/metadata.jsonl b/train/metadata.jsonl new file mode 100644 index 0000000000000000000000000000000000000000..ac7484f8a28a7ad4f58b82eb7eeebf38690c103f --- /dev/null +++ b/train/metadata.jsonl @@ -0,0 +1,1200 @@ +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_0.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C\\C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\C1CC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_2.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_3.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_4.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1ccccc1)c1nccc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ncc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(ncc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_5.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CC)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CC)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_6.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_7.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_8.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_9.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_10.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_11.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_12.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)CNc1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)CNc1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_13.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_14.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_15.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_16.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_17.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_18.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1c2c(nc1C)C(=[NH+][C@@]2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1c2c(nc1C)C(=NC2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c2c(nc1C)C(=NC2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_19.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_20.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_21.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_22.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cccc1-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_23.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_24.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_25.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_26.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_27.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(c[n+]([O-])c1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(c[n+]([O-])c1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_28.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_29.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_30.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_31.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_32.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_33.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_34.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_35.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOCOC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_36.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_37.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_38.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_39.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_40.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_41.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_42.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCC\\C=C(\\F)/F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCC\\C=C(\\F)/F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_43.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_44.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2cc(ccc2OC1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2cc(ccc2OC1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_45.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_46.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_47.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_48.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(cc2)C#N)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_49.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_50.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cnccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_51.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_52.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_53.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_54.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_55.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(N3CCCCC3)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_56.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_57.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_58.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_59.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(F)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_60.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_61.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_62.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_63.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FCC([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FCC([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_64.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_65.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_66.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_67.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCC1CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CC2CCC(CC2)C(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(CC2CCC(CC2)C(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_68.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_69.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_70.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCC(OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)CC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1[NH2+]CC2(C1)c1c(NC2=O)cccc1)C1CCN(CC1)C(=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1)C1(CCCCC1)C#N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1)C1(CCCCC1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_71.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc([N+](=O)[O-])cc1CC(c1ccc(OC)cc1)c1nc([nH]c1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C(Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_72.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(-c2cc(ccc2)C2(N=C(OC2)N)c2ccc(OC)cc2)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(-c2cc(ccc2)C2(N=C(OC2)N)c2ccc(OC)cc2)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_73.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_74.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_75.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_76.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_77.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_78.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_79.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCCCCC(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@]1(C1CCCCC1)c1cc(NC(=O)COC)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@]1(C1CCCCC1)c1cc(NC(=O)COC)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_80.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2COCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_81.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_82.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_83.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_84.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_85.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccc(C2(N=C(N)N(C)C2=O)c2cc(ccc2)-c2cncnc2)c1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1ccc(C2(N=C(N)N(C)C2=O)c2cc(ccc2)-c2cncnc2)c1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_86.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_87.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_88.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_89.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_90.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cc(ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cc(ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_91.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_92.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C([O-])C(NC1=NC(Cc2c1ccc(c2)C)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C([O-])C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C([O-])C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_93.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_94.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(C(CCC)CCC)C[C@@H](NC(OCc1ccccc1)=O)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(C(CCC)CCC)C[C@@H](NC(OCc1ccccc1)=O)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_95.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_96.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_97.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCC\\C=C(\\F)/F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCC\\C=C(\\F)/F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_98.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_99.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1ccc(cc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1ccc(cc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_100.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1)C1CCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1)C1CCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_101.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)CCCC)cccc2)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_102.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_103.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)N)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_104.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ccncc1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_105.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1([NH+]=C(N)c2c1cccc2F)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C([NH+]=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c2c(ccc1)C([NH+]=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_106.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3C3CC3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3CCC3CC3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3CCC3CC3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_107.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)[C@@]12N=C(O[C@@H]1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_108.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(NCCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(NCCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_109.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CCO)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CCO)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_110.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_111.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_112.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)C1CC1c1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)C1CC1c1cc(ccc1)-c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_113.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CO)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CO)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_114.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_115.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_116.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3-c3occn3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3-c3occn3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_117.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_118.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_119.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_120.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O=C(N[C@H](C(=O)[O-])C)[C@@H]1CCC[C@H]1[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N[C@H](C(=O)[O-])C)[C@@H]1CCC[C@H]1[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_121.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(F)c3NCC4(CCC(F)(F)CC4)c3c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(F)c3NCC4(CCC4)c3c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(F)c3NCC4(CCC4)c3c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_122.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_123.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_124.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_125.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_126.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_127.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_128.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C([O-])C(NC1=NC(Cc2c1ccc(c2)C)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C([O-])[C@@H](\\[NH+]=C\\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C([O-])[C@@H](\\[NH+]=C\\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_129.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_130.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1=O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1=O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_131.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_132.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ccc(OC)cc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(OC)cc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_133.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_134.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_135.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_136.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_137.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_138.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_139.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_140.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(F)ccc1CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(F)ccc1CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_141.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_142.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_143.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CCCC1)C(C)(C)[C@@H]1C[C@@H](CCC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CCCC1)C(C)(C)[C@@H]1C[C@@H](CCC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_144.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N[C@@H]1C[C@H](C[C@@H](C1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)CC1CCCCC1)C(=O)N[C@H](C)C1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_145.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC(F)(F)F)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_146.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_147.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC(F)(F)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC(F)(F)C(F)(F)F)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_148.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C[NH2+]C(C(O)C)C(=O)NCC(C)C)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_149.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cc(Cl)c1)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_150.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(C)c1ccccc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_151.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_152.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_153.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_154.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_155.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC(O)(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_156.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_157.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_158.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_159.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cn1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_160.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_161.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cccc(-c2cc3c(Oc4c(cc(OC)cc4)C34N=C(OC4)N)cc2)c1F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cccc(-c2cc3c(Oc4c(cc(OC)cc4)C34N=C(OC4)N)cc2)c1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_162.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_163.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_164.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCC(C)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_165.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_166.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_167.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_168.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cnc(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cnc(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_169.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_170.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_171.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): OC(C(NC(=O)c1cc(N(C(=O)C)c2ccccc2)ccc1)Cc1ccccc1)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)c1cc(N(C(=O)C)c2ccccc2)ccc1)Cc1ccccc1)C[NH2+]C(C(=O)NC1CCCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_172.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_173.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_174.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(CO)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_175.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_176.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_177.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CCC(=O)N)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(OC)=O)C)C)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CCC(=O)N)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(OC)=O)C)C)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_178.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_179.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_180.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "[NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_181.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)CCOc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)CCOc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_182.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(CC)c1cc(cc(N(S(=O)(=O)C)c2ccccc2)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(CC)c1cc(cc(N(S(=O)(=O)C)c2ccccc2)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_183.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCOC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCOC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_184.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncc(cc1)C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_185.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cccnc1)c1ccncc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cc(nc(c1)CC)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_186.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_187.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](CC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](CC)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_188.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_189.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_190.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_191.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_192.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_193.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_194.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CC)c(NC(=O)C)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CC)c(NC(=O)C)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_195.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(=O)N[C@H](C)c3ccccc3)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(=O)N[C@H](C)c3ccccc3)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_196.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_197.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cccnc2)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ccccc2)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2cccnc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2cccnc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_198.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_199.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_200.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_201.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_202.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cccnc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)-c2cccnc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_203.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCCC)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCCC)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_204.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCCCO\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCCCO", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_205.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C1(CCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_206.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_207.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_208.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_209.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_210.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_211.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_212.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_213.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_214.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_215.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_216.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_217.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_218.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(N[C@@]1(CC(C)C)C)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)CN1C(=O)[C@](NC1=N)(CC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(ccc1)CN1C(=O)C(NC1=N)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(ccc1)CN1C(=O)C(NC1=N)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_219.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C([O-])C(NC1=NC(Cc2c1ccc(c2)C)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C([O-])[C@@H](\\[NH+]=C\\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C([O-])[C@@H](\\[NH+]=C\\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_220.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ncccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nnccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nnccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_221.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_222.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_223.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cncc1CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_224.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_225.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1ccc(cc1C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccc(cc1C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_226.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_227.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_228.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C(C(=O)NOCc2ccccc2)=C1C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C(C(=O)NOCc2ccccc2)=C1C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_229.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OC)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OC)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_230.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_231.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_232.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1nc(cnc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1nc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1nc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_233.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_234.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_235.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_236.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CC1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NCC1CCCCC1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NC1C2CC3CC1CC(C2)C3)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NC1C2CC3CC1CC(C2)C3)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_237.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_238.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_239.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_240.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_241.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(CF)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(CF)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_242.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_243.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_244.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_245.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_246.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_247.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_248.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#CCOC)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#CCOC)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_249.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_250.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)[C@@]12N=C(O[C@@H]1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_251.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_252.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_253.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_254.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_255.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2COCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_256.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_257.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_258.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_259.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_260.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_261.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_262.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_263.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_264.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_265.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)(F)F)=C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)(F)F)=C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_266.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_267.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_268.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_269.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_270.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_271.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_272.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_273.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_274.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(SC3)N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(OC1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_275.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_276.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_277.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)C)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_278.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC(C)C)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC(C)C)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_279.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(CO)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_280.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_281.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_282.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_283.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_284.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(cnc1)-c1cc(ccc1)C1(N=C(C(C)C)C(=N1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(cnc1)-c1cc(ccc1)C1(N=C(C(C)C)C(=N1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_285.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_286.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_287.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_288.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_289.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_290.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(C(CCC)CCC)C[C@@H](NC(OCc1ccccc1)=O)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(CCCCC)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)CC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(CCCCC)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)CC)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_291.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_292.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_293.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=[NH2+])NC1(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=[NH2+])NC1(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_294.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(N(O)C(=O)C)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(N(O)C(=O)C)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_295.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_296.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C23N=C(N)COCC2C3)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_297.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_298.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_299.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nnn(c1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nn(cc1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cn(nc1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cn(nc1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_300.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_301.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_302.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_303.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: o1cccc1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_304.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_305.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_306.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_307.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Nc2cncnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Nc2cncnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_308.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_309.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C=CN=3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C=CN=3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_310.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_311.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_312.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_313.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(F)ccc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(F)ccc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_314.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_315.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_316.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_317.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CF)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CF)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_318.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_319.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_320.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_321.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_322.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_323.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_324.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Oc1ccc(cc1)CC[NH3+]\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1)CC[NH3+]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_325.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_326.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_327.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)CCc1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)CCc1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_328.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_329.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_330.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(cnc1)C#CC)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(cnc1)C#N)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(F)cnc1)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(F)cnc1)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_331.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_332.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_333.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_334.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_335.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_336.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(n1cc(c2c1cccc2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)CCCC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(n1cc(c2c1cccc2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_337.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_338.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_339.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_340.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(c1cc2CN(CCC(=O)N(C)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_341.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FCCC[C@@H](F)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FCCC[C@@H](F)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_342.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_343.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C)C)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C)C)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_344.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1)c1nc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1)c1nc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_345.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_346.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_347.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_348.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_349.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_350.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_351.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_352.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_353.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_354.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_355.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_356.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_357.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_358.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_359.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@H]([C@H](O)C[NH2+][C@H]1CC(Cc2nn(cc12)CC(C)(C)C)(C)C)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c2OC(C[C@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc3ccccc3)c2cc1CC(C)(C)C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1c2OC(C[C@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc3ccccc3)c2cc1CC(C)(C)C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_360.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_361.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_362.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_363.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C(C)C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C(C)C)C(=N1)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_364.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_365.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_366.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(cc2)C#N)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc2n(ccc2cc1)CC(=O)NC(=[NH2+])NCc1cc(Cl)c(NC(=O)C)c(Cl)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_367.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_368.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_369.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1N1S(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)C1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1occn1)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1occn1)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_370.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(OC1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_371.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2cccnc2)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C(F)(F)F)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cccnc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cccnc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_372.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_373.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_374.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_375.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_376.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1occn1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1ccnc1N1S(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)C1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_377.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_378.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]12CC(Cc1c2cc(cc1)-c1cncnc1)(C)C)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_379.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_380.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_381.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C(F)(F)F)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2ccc(F)cc2)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C#N)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C#N)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_382.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCCc3cc(C2)ccc3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCc3cc(C2)ccc3)CC12CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCc3cc(C2)ccc3)CC12CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_383.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_384.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_385.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_386.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_387.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_388.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C[NH2+]C(C(O)C)C(=O)NCC(C)C)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_389.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_390.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_391.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Oc1ccc(cc1C1CCCCC1)CC[NH3+]\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1CC[C@@](N=C1N)(C)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC[C@@](N=C1N)(C)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_392.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_393.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_394.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_395.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_396.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_397.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_398.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_399.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_400.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C(F)F)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_401.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_402.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(Cc1ccccc1)C)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_403.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_404.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_405.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_406.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_407.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_408.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCO)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_409.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_410.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_411.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_412.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_413.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccccc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_414.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(C)C1CCCCC1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCCC1CC[NH2+]C1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NC1CC[NH+](CC1)C)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NC1CC[NH+](CC1)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_415.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(C)C1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(C)C1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_416.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_417.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_418.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_419.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2)CO)CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2)CO)CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_420.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_421.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_422.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_423.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC([NH3+])C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC([NH3+])C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_424.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_425.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC(F)(F)F)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_426.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_427.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_428.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_429.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1)C1(CCCCC1)C#N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1[NH2+]CC2(C1)c1c(NC2=O)cccc1)C1CCN(CC1)C(=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CCC(OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CCC(OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_430.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_431.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_432.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_433.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_434.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncc(cc1)C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_435.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_436.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_437.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_438.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_439.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_440.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_441.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_442.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1nc(N(CC2CC2C)C)cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c3n(cc(c3c(cc2)C(=O)NC(C(O)CC(OC)COCc2ccc(OC)cc2)COc2cc(F)cc(F)c2)CC)CC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(c2c3n(cc(c3c(cc2)C(=O)NC(C(O)CC(OC)COCc2ccc(OC)cc2)COc2cc(F)cc(F)c2)CC)CC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_443.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_444.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_445.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_446.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_447.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_448.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_449.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(NC(=O)Cn1c2cc(ccc2cc1)C#N)=N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1NC(=O)C)C\\N=C(\\NC(=O)Cn1c2c(cccc2)cc1)/N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cc(Cl)c1NC(=O)C)C\\N=C(\\NC(=O)Cn1c2c(cccc2)cc1)/N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_450.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_451.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FCCCC(=O)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FCCCC(=O)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_452.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_453.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)Oc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)Oc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_454.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(Cc1cc(F)ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1cc(F)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_455.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_456.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc([nH]c2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc([nH]c2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_457.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_458.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ocnn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: [nH]1nnnc1C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3oc(nn3)C)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3oc(nn3)C)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_459.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_460.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_461.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_462.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_463.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_464.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_465.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1nc(OC)ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1C#N)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_466.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_467.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_468.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_469.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_470.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_471.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)N[C@@H](Cc2cc1ccc2)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_472.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCOc2c1cc(cc2)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCc2cc(ccc12)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1c2cc(ccc2OC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2cc(ccc2OC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_473.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)[C@@H]2N1CCCC2)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)C2N1CCCC2)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)C2N1CCCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_474.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_475.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCO\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCO", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_476.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_477.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)CCc1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_478.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1c(cccc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_479.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_480.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_481.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)C1CC1c1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_482.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_483.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_484.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCN(CC1)C(=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCC(CC1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CCC(CC1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_485.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_486.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_487.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_488.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_489.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_490.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn(nc3)C)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn(nc3)C)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_491.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_492.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_493.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_494.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_495.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CC1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(CC1CCCCC1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_496.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_497.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_498.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_499.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccc(F)cc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_500.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_501.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_502.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_503.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_504.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_505.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_506.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_507.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_508.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_509.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_510.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCC(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCC(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_511.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_512.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_513.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_514.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)C)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)C)c1cc(ccc1)-c1cncnc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_515.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_516.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)-c1cc2c(nc(N)cc2)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)-c1cc2c(nc(N)cc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_517.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_518.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_519.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1CC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1CC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_520.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ncccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_521.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_522.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(N2CCCC2=O)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C1CCCC1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C1CCCC1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_523.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_524.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_525.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)/C(=C/C)/C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)/C(=C/C)/C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_526.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_527.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_528.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): [NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_529.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_530.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#CCF)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#CCF)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_531.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_532.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_533.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C=1[C@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C=1[C@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C)C)C=1C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_534.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_535.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_536.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_537.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_538.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_539.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_540.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_541.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_542.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_543.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCF)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCF)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_544.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ncccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_545.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_546.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_547.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_548.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_549.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Oc1ccc(cc1)CC([NH3+])C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1)CC([NH3+])C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_550.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_551.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_552.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1ccccc1)c1nccc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ncccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ncccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_553.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_554.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(OC1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_555.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_556.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_557.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cccnc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cccnc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_558.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_559.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1C[C@H](NC(=O)c2cc(cc(c2)[C@@H](O)[NH2+][C@H](C\\C=C\\C1)c1ccccc1)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1C[C@H](NC(=O)c2cc(cc(c2)[C@@H](O)[NH2+][C@H](C\\C=C\\C1)c1ccccc1)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_560.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1O)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C2CC2)[C@H]1O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc3c(COC3(C)C)cc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc3c(COC3(C)C)cc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_561.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_562.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_563.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_564.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(F)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(F)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_565.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_566.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N[C@@H]1C[C@H](C[C@@H](C1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)CC1CCCCC1)C(=O)N[C@H](C)C1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_567.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)-c1cc2c(nc(N)cc2)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)-c1cc2c(nc(N)cc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_568.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@@H](C1)C\\C=C\\C=C/C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)C(O)C1[NH2+]CC[NH2+]C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@H](OCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@H](OCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_569.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_570.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1ccccc1)c1ccncc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1ccccc1)c1ccncc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_571.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_572.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cn1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_573.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_574.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_575.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_576.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_577.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): [NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_578.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)C[C@@H](C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)C[C@@H](C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_579.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_580.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1c2c(nc1C)C(=NC2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1c2c(nc1C)C(=[NH+][C@@]2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c2c(nc1C)C(=[NH+][C@@]2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_581.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_582.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_583.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@H]1F)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@H]1F)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_584.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_585.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_586.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_587.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_588.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(cc(F)c1N)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C(F)(F)C)[C@H]1O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_589.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_590.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_591.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(n2nc(cc12)C)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(n2nc(cc12)C)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_592.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_593.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): OC(C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)C)CC(C)C)CC(C(=O)NCCCC)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)C)CC(C)C)CC(C(=O)NCCCC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_594.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1ccccc1)c1ccncc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1ccccc1)c1ccncc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_595.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)-c1cc2c(nc(N)cc2)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)-c1cc2c(nc(N)cc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_596.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)CF\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)CF", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_597.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CCC)CCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CCC)CCC)cccc2)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_598.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_599.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCCC1)C(C)(C)[C@@H]1C[C@@H](CCC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_600.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_601.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_602.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_603.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccc(cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccc(cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_604.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(SC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(SC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_605.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_606.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_607.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_608.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(C)C)ccc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(C)C)ccc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_609.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_610.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_611.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)CCc1cccnc1N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(cnc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cccc(NCc2ccccc2)c1N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cccc(NCc2ccccc2)c1N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_612.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_613.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_614.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_615.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_616.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_617.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCCCC1c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCOCC1c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_618.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2C3CC(CC3)C2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_619.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_620.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_621.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_622.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_623.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CC)CC)cccc2)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CC)CC)cccc2)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_624.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_625.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(c1)C)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(c1)C)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_626.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCC(CC1)CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC[C@@H](NC(=O)[C@@H](Cc2cc3cc(ccc3nc2N)-c2ccccc2C)C)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CC[C@@H](NC(=O)[C@@H](Cc2cc3cc(ccc3nc2N)-c2ccccc2C)C)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_627.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_628.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_629.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_630.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_631.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_632.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_633.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_634.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FCCCCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FCCCCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_635.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_636.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CC[C@@H](NC(=O)[C@@H](Cc2cc3cc(ccc3nc2N)-c2ccccc2C)C)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCC(CC1)CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCC(CC1)CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_637.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_638.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_639.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_640.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "[NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_641.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_642.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_643.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@@]1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@@]1(N=C(N)N(C)C1=O)c1cn(nc1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_644.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_645.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ccncc1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_646.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c1F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_647.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_648.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_649.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCCCC1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCCCC1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_650.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_651.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc([N+](=O)[O-])cc1CC(c1ccc(OC)cc1)c1nc([nH]c1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C(Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_652.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_653.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_654.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_655.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(NC(C)C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NC(C)C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_656.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nn(cc1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_657.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_658.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_659.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCCC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCCC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_660.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C3(CC2)CC3)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C3(CC2)CC3)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_661.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_662.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(COC)c1cc(ccc1)C(C)(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(COC)c1cc(ccc1)C(C)(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_663.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(nc1)-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_664.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_665.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c(cc1)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c(cc1)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_666.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_667.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C(C)C)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_668.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_669.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_670.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_671.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C\\C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\C1CC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_672.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_673.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_674.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_675.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_676.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_677.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_678.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_679.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_680.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccc(F)cc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccc(F)cc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_681.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_682.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_683.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_684.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](CC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_685.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCc2c1cc(OC)cc2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCc2c1cc(OC)cc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_686.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: o1cccc1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_687.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_688.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_689.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cccc1-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_690.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(CCC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(CCC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_691.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1OC)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1OC)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_692.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_693.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Oc1ccc(cc1)CC[NH3+]\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1)CC[NH3+]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_694.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_695.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(Nc2ncccc2)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(Nc2cccnc2)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1ccnc1NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_696.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_697.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_698.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(nc1)-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_699.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_700.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(OC(C)C)ccc2)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(OC(C)C)ccc2)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_701.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2ncccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1nc(cc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1nc(cc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_702.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)CCc1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)CCc1ccc(cc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_703.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_704.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_705.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(N3CCCCC3)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_706.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_707.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_708.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_709.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_710.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_711.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)[C@@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)[C@@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_712.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCC(C)C)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCC(C)C)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_713.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccccc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_714.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_715.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_716.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1c(cccc1N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1c(cccc1N)Cn1c(ccc1-c1ccccc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_717.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_718.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_719.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_720.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_721.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C([NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(nc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(nc2)CC)c1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_722.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C23N=C(N)COCC2C3)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_723.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]12CC(Cc1c2cc(cc1)-c1cncnc1)(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_724.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(O)C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)N)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)N)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_725.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_726.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(CC(F)(F)F)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(CC(F)(F)F)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_727.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_728.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_729.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_730.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_731.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cccnc1)c1ccncc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cc(nc(c1)CC)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1nccnc1)c1ccncc1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1nccnc1)c1ccncc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_732.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_733.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CC1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(CC1CCCCC1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_734.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_735.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1O)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C2CC2)[C@H]1O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_736.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_737.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1c(C)c(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(C)c(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_738.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2COCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_739.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_740.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_741.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)CC1)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_742.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(cc1)CCC)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_743.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1nc(OC)ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1C#N)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_744.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(cc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(cc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_745.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_746.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2nnn(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2ncn(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2ncn(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_747.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(N3CCCCC3)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_748.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_749.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_750.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_751.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_752.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N[C@@H](C[C@@H](CCCCCCCCC(=O)N(C)[C@H]1C)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N[C@@H](C[C@@H](CCCCCCCC(=O)N[C@H]1C)C)[C@@H](O)C[C@H](C(=O)NCCCC)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N[C@@H](C[C@@H](CCCCCCCC(=O)N[C@H]1C)C)[C@@H](O)C[C@H](C(=O)NCCCC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_753.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_754.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_755.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_756.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_757.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_758.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CC)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CC)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_759.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_760.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(CC)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(CC)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_761.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_762.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CC1CC1)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CC1CC1)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_763.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_764.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_765.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn(nc3)C)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_766.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_767.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_768.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C#N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_769.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1c2OC(C[C@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc3ccccc3)c2cc1CC(C)(C)C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N[C@H]([C@H](O)C[NH2+][C@H]1CC(Cc2nn(cc12)CC(C)(C)C)(C)C)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N[C@H]([C@H](O)C[NH2+][C@H]1CC(Cc2nn(cc12)CC(C)(C)C)(C)C)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_770.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_771.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(cc1)CCC)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_772.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_773.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_774.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_775.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_776.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)Oc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_777.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCNC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_778.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2ncn(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)c2nccc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)c2nccc(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_779.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_780.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_781.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)\\C=C\\c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)\\C=C\\c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_782.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)C(CC([NH3+])C(NC(=O)c2cc(ccc2)C(=O)N(CCC)CCC)Cc2ccccc2)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)C(CC([NH3+])C(NC(=O)c2cc(ccc2)C(=O)N(CCC)CCC)Cc2ccccc2)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_783.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_784.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_785.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_786.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#C[C@H](O)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#C[C@H](O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_787.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_788.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cccc1-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_789.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc([nH]c2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc([nH]c2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_790.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(OC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(OC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_791.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_792.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(-c2cc3c(OC(CC34N=C(N)N(C)C4=O)(C)C)cc2)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(-c2cc3c(OC(CC34N=C(N)N(C)C4=O)(C)C)cc2)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_793.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_794.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_795.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_796.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_797.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_798.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_799.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_800.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(C)c1ccccc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_801.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_802.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(N)CC1)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(N)CC1)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_803.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_804.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_805.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_806.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_807.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C[NH2+]CC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C[NH2+]CC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_808.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1nccc(c1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1nccc(c1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_809.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_810.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_811.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_812.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(cnc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_813.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@H](OCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)C(O)C1[NH2+]CC[NH2+]C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@@H](C1)C\\C=C\\C=C/C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@@H](C1)C\\C=C\\C=C/C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_814.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_815.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_816.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): OC(C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1)C[NH2+]C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1)C[NH2+]C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_817.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_818.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_819.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_820.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_821.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_822.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_823.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_824.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_825.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)N)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_826.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_827.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2CC(N=C12)(C)C)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2CC(N=C12)(C)C)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_828.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_829.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1O)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C2CC2)[C@H]1O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_830.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_831.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_832.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_833.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_834.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_835.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(cc2)C#N)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_836.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_837.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_838.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_839.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(ccc1C(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(ccc1C(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_840.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(ON=3)=O)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)NN=3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)NN=3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_841.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nn(cc1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_842.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_843.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_844.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]12CC(Cc1c2cc(cc1)-c1cncnc1)(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_845.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_846.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1sc(cc1C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1sc(cc1C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_847.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_848.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)CCc1cc2c(nc1N)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N(C)C1CCCCC1)CCc1cc2c(nc1N)cccc2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N(C)C1CCCCC1)CCc1cc2c(nc1N)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_849.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_850.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_851.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_852.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C(=O)N(C2)C)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_853.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_854.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_855.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_856.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(CC[C@]12[N@H+](CCC2)CCC)[C@H](C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CC[C@]12[N@H+](CCC2)CCC)[C@H](C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_857.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_858.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_859.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_860.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: o1cccc1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_861.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_862.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_863.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_864.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_865.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)CC1)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_866.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_867.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_868.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_869.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_870.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@@H]1F)N)CF\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@@H]1F)N)CF", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_871.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_872.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_873.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc([N+](=O)[O-])cc1CC(c1ccc(OC)cc1)c1nc([nH]c1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C(Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_874.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_875.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_876.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_877.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)CNc1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)CNc1ccccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)CNc1ccccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_878.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)CN1CC(NC1=O)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)CN1CC(NC1=O)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_879.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_880.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCC(CC1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCN(CC1)C(=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCN(CC1)C(=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_881.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_882.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(=O)[O-])C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(=O)[O-])C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_883.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1sccc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1sccc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_884.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_885.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C(C)C)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_886.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc2c(n(cc2C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cc(OC)ccc2)C(=O)N(CCCC)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc2c(n(cc2C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cc(OC)ccc2)C(=O)N(CCCC)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_887.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(O)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_888.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_889.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_890.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_891.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccccc2)C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CCCC1CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_892.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_893.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_894.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_895.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)C2N1CCCC2)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)[C@@H]2N1CCCC2)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)[C@@H]2N1CCCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_896.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_897.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](C[C@H]3[C@H](SC=C3c3cn[nH]c3)CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](C[C@H]3[C@H](SC=C3c3cn[nH]c3)CCC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_898.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_899.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1)c1cc(cnc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1)c1cc(cnc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_900.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_901.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_902.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)c3c(C2)cccc3)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(Oc3c(cccc3)C(=N2)N)C)c(F)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)c2c1cccc2)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)c2c1cccc2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_903.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_904.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_905.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_906.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_907.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_908.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)CCCC(OCCOC)c1cc(COCC(NC2=O)C(O)CC(C(C)C)C(=O)NCC(C)C)ccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1nc2CC[C@@H](CCc3cc(C[C@]([NH3+])(C)C(OCc(c1)c2)=O)ccc3)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1nc2CC[C@@H](CCc3cc(C[C@]([NH3+])(C)C(OCc(c1)c2)=O)ccc3)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_909.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_910.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC1CCC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(NC1CC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NC1CC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_911.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_912.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_913.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_914.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_915.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_916.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_917.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCC[NH+]1CCOCC1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CCOCC1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCC[NH+]1CCOCC1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCC[NH+]1CCOCC1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_918.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C(=O)N(C2)C)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C(=O)N(C1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc([C@@]2(N=C(N)C(=O)N(C2)C)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc([C@@]2(N=C(N)C(=O)N(C2)C)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_919.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)[C@@]12N=C(O[C@@H]1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_920.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_921.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_922.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_923.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_924.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CC1CC1)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CC1CC1)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_925.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_926.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_927.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_928.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C1(CCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_929.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_930.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)C([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)C([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_931.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_932.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_933.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_934.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_935.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_936.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_937.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_938.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_939.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_940.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2cc(ccc2OC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CCc2cc(ccc12)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CCOc2c1cc(cc2)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCOc2c1cc(cc2)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_941.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_942.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_943.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_944.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_945.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccc(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccc(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_946.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_947.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCC[NH+]1CCOCC1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC[NH+]1CCOCC1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC[NH+](CC1)CC(O)COc1cc(ccc1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC[NH+](CC1)CC(O)COc1cc(ccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_948.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2occn2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2occn2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_949.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_950.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_951.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_952.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C(F)(F)F)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C#N)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ccccc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ccccc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_953.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_954.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2ncccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)-c2ncccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_955.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_956.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_957.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C(=O)N(C2)C)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C(=O)N(C1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@@]1(N=C(N)C(=O)N(C1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@@]1(N=C(N)C(=O)N(C1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_958.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_959.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_960.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_961.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_962.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_963.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_964.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_965.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C1(CCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_966.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_967.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_968.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_969.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_970.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_971.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_972.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_973.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cncc1CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_974.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_975.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_976.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_977.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_978.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)N(CC1CCCCC1)C)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(CC1CCCCC1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NCC1CCCCC1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NCC1CCCCC1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_979.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)CCc1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)CCc1ccc(cc1)-c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)CCc1ccc(cc1)-c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_980.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(c1cc2CN(CCC(=O)N(C)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_981.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_982.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_983.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_984.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOCC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_985.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_986.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_987.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_988.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_989.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C1CCCC1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(N2CCCC2=O)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(N2CCCC2=O)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_990.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)C)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CCC1CCCCC1)CC(C)C)=N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CCC1CCCCC1)CC(C)C)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_991.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_992.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC\\C(=N\\O)\\CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(=O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_993.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_994.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_995.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(Cc1ccccc1)C)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_996.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_997.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_998.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(O)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(O)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_999.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1000.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1001.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@@]1(C[C@H]1C)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@@]1(C[C@H]1C)c1cc(ccc1)C(C(F)F)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1002.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1003.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1004.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(NCC=C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NCC=C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1005.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1006.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1007.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1008.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(c1)C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(c1)C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1009.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1010.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1011.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1012.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1013.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1014.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1015.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1016.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CCN(C1)C(=O)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1CC([NH2+]CC1)C(O)C(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)Cc1cc(F)cc(F)c1)c1cc(ccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C[C@@H]([NH2+]CC1)[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N1C[C@@H]([NH2+]CC1)[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1017.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1018.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1019.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(cc(F)c1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Brc1cc(cc(F)c1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1020.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1021.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1022.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1023.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1024.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(ccc1)C([NH+]=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)[C@]1([NH+]=C(N)c2c1cccc2F)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)[C@]1([NH+]=C(N)c2c1cccc2F)c1cc(ncc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1025.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1026.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1027.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1028.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(N4CCCC4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(c4ncccc4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(c4ncccc4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1029.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CCC(=O)N)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(OC)=O)C)C)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])COc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cc(ccc1)C(=O)[O-])c1nnn[n-]1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cc(ccc1)C(=O)[O-])c1nnn[n-]1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1030.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1031.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCNC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1032.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)C#CC)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)C#CC)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1033.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N[C@@H]1C[C@H](C[C@@H](C1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)CC1CCCCC1)C(=O)N[C@H](C)C1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1034.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1035.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](CC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1036.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1037.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1038.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC\\C(=N\\O)\\CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(=O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1039.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NC(C)C)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NC(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1040.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccccc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1041.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1042.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1043.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1044.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1045.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1046.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1047.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1048.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1049.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1050.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC(O)(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1051.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1052.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1cc(OC)ccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1cc(OC)ccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1053.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1054.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1055.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ccc(cc1)CC1CC[NH2+]CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1)CC1CC[NH2+]CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1056.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1057.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1058.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Oc1ccc(cc1)CC[NH3+]\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1)CC[NH3+]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1059.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1060.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1061.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1062.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1063.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1064.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1065.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1066.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(C)c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(C)c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1067.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1068.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1069.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1070.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1071.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1072.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccc(F)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1073.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1074.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1C)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1C)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1075.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCc3cc(C2)ccc3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCCc3cc(C2)ccc3)CC12CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCCc3cc(C2)ccc3)CC12CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1076.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC2CCCC2)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC2CCCC2)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1077.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1078.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1079.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1080.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1081.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1082.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)CCCC([NH3+])(Cc1ccccc1)CO)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(NCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(NCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1083.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1084.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1085.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1086.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(C)c(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(C)c(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1087.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(CO)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1088.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1089.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1090.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1091.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1092.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1093.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1094.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2F)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2F)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1095.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1096.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1097.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(F)c1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cc(F)c1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1098.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2cc(CC(NC(=O)c3cc(N4CCCC4=O)cc1c3)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)ccc2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2cc(CC(NC(=O)c3cc(N4CCCC4=O)cc1c3)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)ccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1099.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1100.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1101.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1102.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1103.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1104.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1105.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1106.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1107.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1108.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C[C@@H]([NH2+]CC1)[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)C(O)C1[NH2+]CC(Oc2ccccc2)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N1CC([NH2+]CC1)C(O)C(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)Cc1cc(F)cc(F)c1)c1cc(ccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N1CC([NH2+]CC1)C(O)C(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)Cc1cc(F)cc(F)c1)c1cc(ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1109.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CCCC1CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(Cc2ccccc2)C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(Cc2ccccc2)C(=NC1(C1CCCCC1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1110.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1111.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]C(CC)C)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]C(CC)C)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1112.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1113.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC(C)C)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1114.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC(F)(F)F)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1115.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1116.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1117.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1118.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1119.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1120.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1121.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1122.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1123.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1124.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1125.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1126.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)C(=O)c1ccccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1nc(OC)ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1c(ccc1-c1cc(C#N)c(F)cc1)C12N=C(N)N(C)C(=O)C1CN(C2)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1c(ccc1-c1cc(C#N)c(F)cc1)C12N=C(N)N(C)C(=O)C1CN(C2)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1127.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1128.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cc(Cl)c1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1129.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1130.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1131.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1132.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1133.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)CCCC([NH3+])(Cc1ccccc1)CO)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(CCC([NH3+])(Cc1ccccc1)CO)c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(CCC([NH3+])(Cc1ccccc1)CO)c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1134.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cc(OC)cnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cc(OC)cnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1135.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1136.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCC)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCC)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1137.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1138.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1139.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1140.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3oc(nn3)C)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: [nH]1nnnc1C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ocnn3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ocnn3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1141.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCCC1)C(C)(C)[C@@H]1C[C@@H](CCC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1142.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C(F)F)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1143.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1F)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1F)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1144.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1145.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1146.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1147.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2nccn2C)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2nccn2C)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1148.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c1C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c1C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1149.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1150.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1151.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1152.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1153.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCCCC1c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCOCC1c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1154.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1155.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1156.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1157.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1158.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1159.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1160.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1161.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1162.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1163.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1164.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2CC(N=C12)(C)C)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCC2)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1165.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(OCCCC)=O)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(OCCCC)=O)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1166.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C(C)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C(C)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1167.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1168.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)NN=3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(ON=3)=O)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(ON=3)=O)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1169.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2ccccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)-c2ccccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1170.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCC(F)F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCC(F)F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1171.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1172.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1173.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1174.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1175.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1176.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(OC)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(OC)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1177.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1178.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=[NH2+])NC1(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)C1CC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cnc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1179.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1180.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOCOC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1181.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCOC)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCOC)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1182.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1183.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C23N=C(N)COCC2C3)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1184.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(ccc1N)cccc2\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1cccc(NCc2ccccc2)c1N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1ccc2c(cccc2)c1N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1ccc2c(cccc2)c1N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1185.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1186.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1187.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1188.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1189.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1nccc(c1)C1(N=C(N)c2c1cccc2)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1nccc(c1)C1(N=C(N)c2c1cccc2)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1190.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCC(C)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1191.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1192.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1193.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1194.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1195.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1196.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1197.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1198.png"} +{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1ccc2c(cccc2)c1N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): n1c2c(ccc1N)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1c2c(ccc1N)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1199.png"}