diff --git a/python/CDD_ML_Part_3_Acetylcholinesterase_Descriptor_Dataset_Preparation.ipynb b/python/CDD_ML_Part_3_Acetylcholinesterase_Descriptor_Dataset_Preparation.ipynb deleted file mode 100644 index fcb96a1..0000000 --- a/python/CDD_ML_Part_3_Acetylcholinesterase_Descriptor_Dataset_Preparation.ipynb +++ /dev/null @@ -1,8786 +0,0 @@ -{ - "nbformat": 4, - "nbformat_minor": 0, - "metadata": { - "colab": { - "name": "CDD-ML-Part-3-Model-Building-Acetylcholinesterase.ipynb", - "provenance": [], - "collapsed_sections": [] - }, - "kernelspec": { - "name": "python3", - "display_name": "Python 3" - } - }, - "cells": [ - { - "cell_type": "markdown", - "metadata": { - "id": "l0Y7_lgN4jzM", - "colab_type": "text" - }, - "source": [ - "# **Bioinformatics Project - Computational Drug Discovery [Part 3] Descriptor Calculation and Dataset Preparation**\n", - "\n", - "Chanin Nantasenamat\n", - "\n", - "[*'Data Professor' YouTube channel*](http://youtube.com/dataprofessor)\n", - "\n", - "In this Jupyter notebook, we will be building a real-life **data science project** that you can include in your **data science portfolio**. Particularly, we will be building a machine learning model using the ChEMBL bioactivity data.\n", - "\n", - "In **Part 3**, we will be calculating molecular descriptors that are essentially quantitative description of the compounds in the dataset. Finally, we will be preparing this into a dataset for subsequent model building in Part 4.\n", - "\n", - "---" - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "o-4IOizard4P", - "colab_type": "text" - }, - "source": [ - "## **Download PaDEL-Descriptor**" - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "H0mjQ2PcrSe5", - "colab_type": "code", - "outputId": "f89487f7-e16e-4c1b-9ae9-22a82e3b4213", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 561 - } - }, - "source": [ - "! wget https://github.com/dataprofessor/bioinformatics/raw/master/padel.zip\n", - "! wget https://github.com/dataprofessor/bioinformatics/raw/master/padel.sh" - ], - "execution_count": 1, - "outputs": [ - { - "output_type": "stream", - "text": [ - "--2020-06-09 14:27:17-- https://github.com/dataprofessor/bioinformatics/raw/master/padel.zip\n", - "Resolving github.com (github.com)... 140.82.113.4\n", - "Connecting to github.com (github.com)|140.82.113.4|:443... connected.\n", - "HTTP request sent, awaiting response... 302 Found\n", - "Location: https://raw.githubusercontent.com/dataprofessor/bioinformatics/master/padel.zip [following]\n", - "--2020-06-09 14:27:17-- https://raw.githubusercontent.com/dataprofessor/bioinformatics/master/padel.zip\n", - "Resolving raw.githubusercontent.com (raw.githubusercontent.com)... 151.101.0.133, 151.101.64.133, 151.101.128.133, ...\n", - "Connecting to raw.githubusercontent.com (raw.githubusercontent.com)|151.101.0.133|:443... connected.\n", - "HTTP request sent, awaiting response... 200 OK\n", - "Length: 25768637 (25M) [application/zip]\n", - "Saving to: ‘padel.zip’\n", - "\n", - "padel.zip 100%[===================>] 24.57M 33.2MB/s in 0.7s \n", - "\n", - "2020-06-09 14:27:21 (33.2 MB/s) - ‘padel.zip’ saved [25768637/25768637]\n", - "\n", - "--2020-06-09 14:27:23-- https://github.com/dataprofessor/bioinformatics/raw/master/padel.sh\n", - "Resolving github.com (github.com)... 140.82.113.4\n", - "Connecting to github.com (github.com)|140.82.113.4|:443... connected.\n", - "HTTP request sent, awaiting response... 302 Found\n", - "Location: https://raw.githubusercontent.com/dataprofessor/bioinformatics/master/padel.sh [following]\n", - "--2020-06-09 14:27:24-- https://raw.githubusercontent.com/dataprofessor/bioinformatics/master/padel.sh\n", - "Resolving raw.githubusercontent.com (raw.githubusercontent.com)... 151.101.0.133, 151.101.64.133, 151.101.128.133, ...\n", - "Connecting to raw.githubusercontent.com (raw.githubusercontent.com)|151.101.0.133|:443... connected.\n", - "HTTP request sent, awaiting response... 200 OK\n", - "Length: 231 [text/plain]\n", - "Saving to: ‘padel.sh’\n", - "\n", - "padel.sh 100%[===================>] 231 --.-KB/s in 0s \n", - "\n", - "2020-06-09 14:27:24 (12.5 MB/s) - ‘padel.sh’ saved [231/231]\n", - "\n" - ], - "name": "stdout" - } - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "64HnTL4tS-nA", - "colab_type": "code", - "outputId": "e0b9c445-e681-4328-908d-d0338c0da805", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 1000 - } - }, - "source": [ - "! unzip padel.zip" - ], - "execution_count": 2, - "outputs": [ - { - "output_type": "stream", - "text": [ - "Archive: padel.zip\n", - " creating: PaDEL-Descriptor/\n", - " inflating: __MACOSX/._PaDEL-Descriptor \n", - " inflating: PaDEL-Descriptor/MACCSFingerprinter.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._MACCSFingerprinter.xml \n", - " inflating: PaDEL-Descriptor/AtomPairs2DFingerprinter.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._AtomPairs2DFingerprinter.xml \n", - " inflating: PaDEL-Descriptor/EStateFingerprinter.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._EStateFingerprinter.xml \n", - " inflating: PaDEL-Descriptor/Fingerprinter.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._Fingerprinter.xml \n", - " inflating: PaDEL-Descriptor/.DS_Store \n", - " inflating: __MACOSX/PaDEL-Descriptor/._.DS_Store \n", - " creating: PaDEL-Descriptor/license/\n", - " inflating: __MACOSX/PaDEL-Descriptor/._license \n", - " inflating: PaDEL-Descriptor/KlekotaRothFingerprintCount.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._KlekotaRothFingerprintCount.xml \n", - " inflating: PaDEL-Descriptor/config \n", - " inflating: __MACOSX/PaDEL-Descriptor/._config \n", - " inflating: PaDEL-Descriptor/PubchemFingerprinter.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._PubchemFingerprinter.xml \n", - " inflating: PaDEL-Descriptor/ExtendedFingerprinter.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._ExtendedFingerprinter.xml \n", - " inflating: PaDEL-Descriptor/KlekotaRothFingerprinter.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._KlekotaRothFingerprinter.xml \n", - " inflating: PaDEL-Descriptor/GraphOnlyFingerprinter.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._GraphOnlyFingerprinter.xml \n", - " inflating: PaDEL-Descriptor/SubstructureFingerprinter.xml \n", - " inflating: __MACOSX/PaDEL-Descriptor/._SubstructureFingerprinter.xml \n", - " inflating: PaDEL-Descriptor/Descriptors.xls \n", - " inflating: __MACOSX/PaDEL-Descriptor/._Descriptors.xls \n", - " creating: PaDEL-Descriptor/lib/\n", - 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" inflating: PaDEL-Descriptor/lib/ambit2-core-2.4.7-SNAPSHOT(1).jar \n", - " inflating: __MACOSX/PaDEL-Descriptor/lib/._ambit2-core-2.4.7-SNAPSHOT(1).jar \n", - " inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(8).jar \n", - " inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(8).jar \n", - " inflating: PaDEL-Descriptor/lib/jgrapht-0.6.0(6).jar \n", - " inflating: __MACOSX/PaDEL-Descriptor/lib/._jgrapht-0.6.0(6).jar \n", - " inflating: PaDEL-Descriptor/lib/jama(2).jar \n", - " inflating: __MACOSX/PaDEL-Descriptor/lib/._jama(2).jar \n", - " inflating: PaDEL-Descriptor/lib/jama(3).jar \n", - " inflating: __MACOSX/PaDEL-Descriptor/lib/._jama(3).jar \n", - " inflating: PaDEL-Descriptor/lib/commons-cli-1.2(1).jar \n", - " inflating: __MACOSX/PaDEL-Descriptor/lib/._commons-cli-1.2(1).jar \n", - " inflating: PaDEL-Descriptor/lib/guava-17.0.jar \n", - " inflating: __MACOSX/PaDEL-Descriptor/lib/._guava-17.0.jar \n", - " inflating: PaDEL-Descriptor/lib/ambit2-smarts-2.4.7-SNAPSHOT(4).jar \n", - " inflating: __MACOSX/PaDEL-Descriptor/lib/._ambit2-smarts-2.4.7-SNAPSHOT(4).jar \n", - " inflating: PaDEL-Descriptor/lib/libPaDEL-Jobs(5).jar \n", - " inflating: __MACOSX/PaDEL-Descriptor/lib/._libPaDEL-Jobs(5).jar \n" - ], - "name": "stdout" - } - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "QmxXXFa4wTNG", - "colab_type": "text" - }, - "source": [ - "## **Load bioactivity data**" - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "fcBvxkPWKFRV", - "colab_type": "text" - }, - "source": [ - "Download the curated ChEMBL bioactivity data that has been pre-processed from Parts 1 and 2 of this Bioinformatics Project series. Here we will be using the **bioactivity_data_3class_pIC50.csv** file that essentially contain the pIC50 values that we will be using for building a regression model." - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "JBs7QdJoubWC", - "colab_type": "code", - "outputId": "51ee5be0-78c8-4815-ecf9-2dfc981a6d8e", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 204 - } - }, - "source": [ - "! wget https://raw.githubusercontent.com/dataprofessor/data/master/acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv" - ], - "execution_count": 24, - "outputs": [ - { - "output_type": "stream", - "text": [ - "--2020-06-09 15:50:01-- https://raw.githubusercontent.com/dataprofessor/data/master/acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv\n", - "Resolving raw.githubusercontent.com (raw.githubusercontent.com)... 151.101.0.133, 151.101.64.133, 151.101.128.133, ...\n", - "Connecting to raw.githubusercontent.com (raw.githubusercontent.com)|151.101.0.133|:443... connected.\n", - "HTTP request sent, awaiting response... 200 OK\n", - "Length: 655414 (640K) [text/plain]\n", - "Saving to: ‘acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv.1’\n", - "\n", - "\r acetylcho 0%[ ] 0 --.-KB/s \racetylcholinesteras 100%[===================>] 640.05K --.-KB/s in 0.1s \n", - "\n", - "2020-06-09 15:50:02 (6.33 MB/s) - ‘acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv.1’ saved [655414/655414]\n", - "\n" - ], - "name": "stdout" - } - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "Fpu5C7HlwV9s", - "colab_type": "code", - "colab": {} - }, - "source": [ - "import pandas as pd" - ], - "execution_count": 0, - "outputs": [] - }, - { - "cell_type": "code", - "metadata": { - "id": "GCcE8J5XwjtB", - "colab_type": "code", - "colab": {} - }, - "source": [ - "df3 = pd.read_csv('acetylcholinesterase_04_bioactivity_data_3class_pIC50.csv')" - ], - "execution_count": 0, - "outputs": [] - }, - { - "cell_type": "code", - "metadata": { - "id": "60z_N6egNiSJ", - "colab_type": "code", - "outputId": "b931eadc-81e2-44a9-d63b-6a8a442e1061", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 419 - } - }, - "source": [ - "df3" - ], - "execution_count": 27, - "outputs": [ - { - "output_type": "execute_result", - "data": { - "text/html": [ - "
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Unnamed: 0molecule_chembl_idcanonical_smilesclassMWLogPNumHDonorsNumHAcceptorspIC50
00CHEMBL133897CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1active312.3252.803200.06.06.124939
11CHEMBL336398O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC1CC1active376.9134.554600.05.07.000000
22CHEMBL131588CN(C(=O)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F)c1ccccc1inactive426.8515.357400.05.04.301030
33CHEMBL130628O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)Factive404.8454.706900.05.06.522879
44CHEMBL130478CSc1nc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)N(C)Cactive346.3343.095300.06.06.096910
..............................
46904690CHEMBL4293155CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3Cl)CC...intermediate511.1507.072302.03.05.612610
46914691CHEMBL4282558CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3cccc(Cl)c3)...intermediate511.1507.072302.03.05.595166
46924692CHEMBL4281727CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(Br)cc3)...intermediate555.6017.181402.03.05.419075
46934693CHEMBL4292349CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3cccc([N+](=...intermediate521.7026.327102.05.05.460924
46944694CHEMBL4278260CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccc(C#N)cc3...intermediate501.7156.290582.04.05.555955
\n", - "

4695 rows × 9 columns

\n", - "
" - ], - "text/plain": [ - " Unnamed: 0 molecule_chembl_id ... NumHAcceptors pIC50\n", - "0 0 CHEMBL133897 ... 6.0 6.124939\n", - "1 1 CHEMBL336398 ... 5.0 7.000000\n", - "2 2 CHEMBL131588 ... 5.0 4.301030\n", - "3 3 CHEMBL130628 ... 5.0 6.522879\n", - "4 4 CHEMBL130478 ... 6.0 6.096910\n", - "... ... ... ... ... ...\n", - "4690 4690 CHEMBL4293155 ... 3.0 5.612610\n", - "4691 4691 CHEMBL4282558 ... 3.0 5.595166\n", - "4692 4692 CHEMBL4281727 ... 3.0 5.419075\n", - "4693 4693 CHEMBL4292349 ... 5.0 5.460924\n", - "4694 4694 CHEMBL4278260 ... 4.0 5.555955\n", - "\n", - "[4695 rows x 9 columns]" - ] - }, - "metadata": { - "tags": [] - }, - "execution_count": 27 - } - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "BJDJkY43R-9F", - "colab_type": "code", - "colab": {} - }, - "source": [ - "selection = ['canonical_smiles','molecule_chembl_id']\n", - "df3_selection = df3[selection]\n", - "df3_selection.to_csv('molecule.smi', sep='\\t', index=False, header=False)" - ], - "execution_count": 0, - "outputs": [] - }, - { - "cell_type": "code", - "metadata": { - "id": "nRSCoPVDSkf5", - "colab_type": "code", - "outputId": "c9e9f7ed-3cb1-43c5-ae7b-a23456f408d8", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 102 - } - }, - "source": [ - "! cat molecule.smi | head -5" - ], - "execution_count": 29, - "outputs": [ - { - "output_type": "stream", - "text": [ - "CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1\tCHEMBL133897\n", - "O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC1CC1\tCHEMBL336398\n", - "CN(C(=O)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F)c1ccccc1\tCHEMBL131588\n", - "O=C(N1CCCCC1)n1nc(-c2ccc(Cl)cc2)nc1SCC(F)(F)F\tCHEMBL130628\n", - "CSc1nc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)N(C)C\tCHEMBL130478\n" - ], - "name": "stdout" - } - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "GlYaJ9pzUGjS", - "colab_type": "code", - "outputId": "0c694214-bcfb-4715-8ff1-231f99ea8351", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 34 - } - }, - "source": [ - "! cat molecule.smi | wc -l" - ], - "execution_count": 30, - "outputs": [ - { - "output_type": "stream", - "text": [ - "4695\n" - ], - "name": "stdout" - } - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "YzN_S4Quro5S", - "colab_type": "text" - }, - "source": [ - "## **Calculate fingerprint descriptors**\n" - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "JsgTV-ByxdMa", - "colab_type": "text" - }, - "source": [ - "### **Calculate PaDEL descriptors**" - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "6kN9jrGpS5nE", - "colab_type": "code", - "outputId": "c8edf24d-8126-4c21-e686-898838e47350", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 1000 - } - }, - "source": [ - "! bash padel.sh" - ], - "execution_count": 10, - "outputs": [ - { - "output_type": "stream", - "text": [ - "Processing CHEMBL133897 in molecule.smi (1/4695). \n", - "Processing CHEMBL336398 in molecule.smi (2/4695). \n", - "Processing CHEMBL131588 in molecule.smi (3/4695). Average speed: 5.49 s/mol.\n", - "Processing CHEMBL130628 in molecule.smi (4/4695). Average speed: 2.77 s/mol.\n", - "Processing CHEMBL130478 in molecule.smi (5/4695). Average speed: 2.18 s/mol.\n", - "Processing CHEMBL130112 in molecule.smi (6/4695). Average speed: 1.70 s/mol.\n", - "Processing CHEMBL130098 in molecule.smi (7/4695). Average speed: 1.45 s/mol.\n", - "Processing CHEMBL337486 in molecule.smi (8/4695). Average speed: 1.27 s/mol.\n", - "Processing CHEMBL336538 in molecule.smi (9/4695). Average speed: 1.13 s/mol.\n", - "Processing CHEMBL131051 in molecule.smi (10/4695). Average speed: 1.04 s/mol.\n", - "Processing CHEMBL341437 in molecule.smi (11/4695). Average speed: 0.94 s/mol.\n", - "Processing CHEMBL122983 in molecule.smi (13/4695). Average speed: 0.92 s/mol.\n", - "Processing CHEMBL335033 in molecule.smi (12/4695). Average speed: 0.91 s/mol.\n", - "Processing CHEMBL339995 in molecule.smi (15/4695). Average speed: 0.78 s/mol.\n", - "Processing CHEMBL338720 in molecule.smi (14/4695). Average speed: 0.81 s/mol.\n", - "Processing CHEMBL131536 in molecule.smi (17/4695). Average speed: 0.76 s/mol.\n", - "Processing CHEMBL335158 in molecule.smi (16/4695). Average speed: 0.76 s/mol.\n", - "Processing CHEMBL106126 in molecule.smi (18/4695). Average speed: 0.70 s/mol.\n", - "Processing CHEMBL334971 in molecule.smi (19/4695). Average speed: 0.66 s/mol.\n", - "Processing CHEMBL336625 in molecule.smi (20/4695). Average speed: 0.64 s/mol.\n", - "Processing CHEMBL130666 in molecule.smi (21/4695). Average speed: 0.63 s/mol.\n", - "Processing CHEMBL134061 in molecule.smi (22/4695). Average speed: 0.61 s/mol.\n", - "Processing CHEMBL133388 in molecule.smi (23/4695). Average speed: 0.59 s/mol.\n", - "Processing CHEMBL130645 in molecule.smi (24/4695). Average speed: 0.57 s/mol.\n", - "Processing CHEMBL133580 in molecule.smi (25/4695). 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Average speed: 0.36 s/mol.\n", - "Processing CHEMBL1203537 in molecule.smi (49/4695). Average speed: 0.35 s/mol.\n", - "Processing CHEMBL154211 in molecule.smi (48/4695). Average speed: 0.36 s/mol.\n", - "Processing CHEMBL47375 in molecule.smi (51/4695). Average speed: 0.34 s/mol.\n", - "Processing CHEMBL86 in molecule.smi (50/4695). Average speed: 0.35 s/mol.\n", - "Processing CHEMBL542360 in molecule.smi (52/4695). Average speed: 0.34 s/mol.\n", - "Processing CHEMBL154689 in molecule.smi (54/4695). Average speed: 0.33 s/mol.\n", - "Processing CHEMBL345849 in molecule.smi (53/4695). Average speed: 0.33 s/mol.\n", - "Processing CHEMBL346733 in molecule.smi (55/4695). Average speed: 0.33 s/mol.\n", - "Processing CHEMBL416464 in molecule.smi (56/4695). Average speed: 0.32 s/mol.\n", - "Processing CHEMBL1203539 in molecule.smi (57/4695). Average speed: 0.32 s/mol.\n", - "Processing CHEMBL347729 in molecule.smi (58/4695). Average speed: 0.31 s/mol.\n", - "Processing CHEMBL296786 in molecule.smi (59/4695). Average speed: 0.31 s/mol.\n", - "Processing CHEMBL63173 in molecule.smi (60/4695). Average speed: 0.30 s/mol.\n", - "Processing CHEMBL433041 in molecule.smi (61/4695). Average speed: 0.30 s/mol.\n", - "Processing CHEMBL33051 in molecule.smi (63/4695). Average speed: 0.30 s/mol.\n", - "Processing CHEMBL292788 in molecule.smi (62/4695). Average speed: 0.30 s/mol.\n", - "Processing CHEMBL155392 in molecule.smi (64/4695). Average speed: 0.30 s/mol.\n", - "Processing CHEMBL543546 in molecule.smi (66/4695). Average speed: 0.29 s/mol.\n", - "Processing CHEMBL153311 in molecule.smi (65/4695). Average speed: 0.29 s/mol.\n", - "Processing CHEMBL1420 in molecule.smi (67/4695). Average speed: 0.29 s/mol.\n", - "Processing CHEMBL556172 in molecule.smi (68/4695). Average speed: 0.28 s/mol.\n", - "Processing CHEMBL544669 in molecule.smi (70/4695). 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Average speed: 0.19 s/mol.\n", - "Processing CHEMBL539599 in molecule.smi (1038/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL2113367 in molecule.smi (1039/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL536047 in molecule.smi (1040/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL371276 in molecule.smi (1041/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL196401 in molecule.smi (1042/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL196116 in molecule.smi (1043/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL371006 in molecule.smi (1044/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL196177 in molecule.smi (1045/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL196699 in molecule.smi (1046/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL371651 in molecule.smi (1047/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL370561 in molecule.smi (1048/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL1385 in molecule.smi (1049/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL194372 in molecule.smi (1050/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL197696 in molecule.smi (1051/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL199670 in molecule.smi (1052/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL370807 in molecule.smi (1053/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL372202 in molecule.smi (1054/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL382260 in molecule.smi (1055/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL199585 in molecule.smi (1056/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL202661 in molecule.smi (1057/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL381499 in molecule.smi (1058/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL204895 in molecule.smi (1059/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL382207 in molecule.smi (1060/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL205335 in molecule.smi (1061/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL205895 in molecule.smi (1062/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL381926 in molecule.smi (1063/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL205940 in molecule.smi (1064/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL205231 in molecule.smi (1065/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL381782 in molecule.smi (1066/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL205340 in molecule.smi (1067/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL382351 in molecule.smi (1068/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL205321 in molecule.smi (1069/4695). Average speed: 0.19 s/mol.\n", - "Processing CHEMBL207777 in molecule.smi (1070/4695). 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Average speed: 0.20 s/mol.\n", - "Processing CHEMBL390247 in molecule.smi (1258/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL276444 in molecule.smi (1259/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL395815 in molecule.smi (1260/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243057 in molecule.smi (1261/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243274 in molecule.smi (1262/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL394865 in molecule.smi (1263/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL242661 in molecule.smi (1264/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL218443 in molecule.smi (1265/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL242836 in molecule.smi (1266/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL242191 in molecule.smi (1267/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243044 in molecule.smi (1268/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL242190 in molecule.smi (1269/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL394348 in molecule.smi (1270/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243273 in molecule.smi (1271/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL230702 in molecule.smi (1272/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243272 in molecule.smi (1273/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243271 in molecule.smi (1274/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243270 in molecule.smi (1275/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL230434 in molecule.smi (1276/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL396050 in molecule.smi (1277/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243269 in molecule.smi (1278/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243062 in molecule.smi (1279/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243056 in molecule.smi (1280/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL243055 in molecule.smi (1281/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL242989 in molecule.smi (1282/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL242345 in molecule.smi (1283/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL332051 in molecule.smi (1284/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL392324 in molecule.smi (1285/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL115835 in molecule.smi (1286/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL325502 in molecule.smi (1287/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL397891 in molecule.smi (1288/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL415675 in molecule.smi (1289/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241011 in molecule.smi (1290/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL240793 in molecule.smi (1291/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL240792 in molecule.smi (1292/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL398406 in molecule.smi (1293/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238063 in molecule.smi (1295/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL235548 in molecule.smi (1294/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238062 in molecule.smi (1296/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL237870 in molecule.smi (1297/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL396190 in molecule.smi (1298/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL393212 in molecule.smi (1299/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241536 in molecule.smi (1300/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL391918 in molecule.smi (1301/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238994 in molecule.smi (1303/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL393621 in molecule.smi (1302/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238785 in molecule.smi (1304/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238573 in molecule.smi (1305/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238572 in molecule.smi (1306/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238571 in molecule.smi (1307/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241762 in molecule.smi (1308/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241761 in molecule.smi (1309/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL392385 in molecule.smi (1310/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241760 in molecule.smi (1311/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241554 in molecule.smi (1312/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241553 in molecule.smi (1313/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241552 in molecule.smi (1314/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL393758 in molecule.smi (1315/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL239633 in molecule.smi (1316/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241548 in molecule.smi (1317/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL397168 in molecule.smi (1318/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL237189 in molecule.smi (1319/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL392100 in molecule.smi (1320/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL392099 in molecule.smi (1321/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL393149 in molecule.smi (1323/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238293 in molecule.smi (1322/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL438324 in molecule.smi (1325/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL235761 in molecule.smi (1324/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL235759 in molecule.smi (1326/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238257 in molecule.smi (1327/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238256 in molecule.smi (1328/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238085 in molecule.smi (1329/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL235751 in molecule.smi (1330/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238067 in molecule.smi (1331/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL391356 in molecule.smi (1332/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238764 in molecule.smi (1333/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL236173 in molecule.smi (1334/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL239418 in molecule.smi (1335/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL397160 in molecule.smi (1336/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL239207 in molecule.smi (1337/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL1203985 in molecule.smi (1339/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL241127 in molecule.smi (1338/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL360055 in molecule.smi (1340/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL1203984 in molecule.smi (1342/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL555247 in molecule.smi (1341/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL540132 in molecule.smi (1343/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL1203986 in molecule.smi (1344/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL540131 in molecule.smi (1345/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL235014 in molecule.smi (1346/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL440983 in molecule.smi (1347/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL238230 in molecule.smi (1348/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL251077 in molecule.smi (1349/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL402484 in molecule.smi (1350/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL1524 in molecule.smi (1351/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL409610 in molecule.smi (1353/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL251076 in molecule.smi (1352/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL400092 in molecule.smi (1355/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL401114 in molecule.smi (1354/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL252723 in molecule.smi (1357/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL250688 in molecule.smi (1356/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL1523 in molecule.smi (1358/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL479291 in molecule.smi (1359/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL15056 in molecule.smi (1360/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL41 in molecule.smi (1361/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL255231 in molecule.smi (1362/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL255230 in molecule.smi (1363/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL109018 in molecule.smi (1364/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL257540 in molecule.smi (1365/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL403260 in molecule.smi (1366/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL254016 in molecule.smi (1367/4695). 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Average speed: 0.20 s/mol.\n", - "Processing CHEMBL269865 in molecule.smi (1379/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL271385 in molecule.smi (1380/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL271746 in molecule.smi (1381/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL270349 in molecule.smi (1382/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL260964 in molecule.smi (1383/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL273051 in molecule.smi (1384/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL260308 in molecule.smi (1385/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL407320 in molecule.smi (1386/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL261384 in molecule.smi (1388/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL277984 in molecule.smi (1387/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL272229 in molecule.smi (1390/4695). 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Average speed: 0.20 s/mol.\n", - "Processing CHEMBL459825 in molecule.smi (1412/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL459826 in molecule.smi (1413/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL496487 in molecule.smi (1414/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL504924 in molecule.smi (1415/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL496259 in molecule.smi (1416/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL496255 in molecule.smi (1417/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL498645 in molecule.smi (1418/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL496488 in molecule.smi (1419/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL1678 in molecule.smi (1420/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL486698 in molecule.smi (1421/4695). Average speed: 0.20 s/mol.\n", - "Processing CHEMBL3217103 in molecule.smi (1422/4695). 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Average speed: 0.20 s/mol.\n", - "Processing CHEMBL506588 in molecule.smi (1434/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL511575 in molecule.smi (1435/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL511948 in molecule.smi (1436/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL523830 in molecule.smi (1437/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL513281 in molecule.smi (1438/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL518500 in molecule.smi (1439/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL512569 in molecule.smi (1440/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL503392 in molecule.smi (1441/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL461946 in molecule.smi (1442/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL512758 in molecule.smi (1443/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL461945 in molecule.smi (1444/4695). 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Average speed: 0.21 s/mol.\n", - "Processing CHEMBL491360 in molecule.smi (1478/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL491359 in molecule.smi (1479/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL491358 in molecule.smi (1480/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL490338 in molecule.smi (1481/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL491561 in molecule.smi (1482/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL470715 in molecule.smi (1483/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL470866 in molecule.smi (1484/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL470867 in molecule.smi (1485/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL469423 in molecule.smi (1486/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL478666 in molecule.smi (1487/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL474268 in molecule.smi (1488/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL473866 in molecule.smi (1489/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL478667 in molecule.smi (1490/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL497686 in molecule.smi (1491/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL498539 in molecule.smi (1492/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL526476 in molecule.smi (1493/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL456156 in molecule.smi (1494/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL508510 in molecule.smi (1495/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL498536 in molecule.smi (1496/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL468002 in molecule.smi (1498/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL512096 in molecule.smi (1497/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL513161 in molecule.smi (1500/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL468001 in molecule.smi (1499/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL556939 in molecule.smi (1502/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL468000 in molecule.smi (1501/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL550989 in molecule.smi (1504/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL561846 in molecule.smi (1503/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL3216221 in molecule.smi (1506/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL3215574 in molecule.smi (1505/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL3215573 in molecule.smi (1507/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL2448076 in molecule.smi (1508/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL3215770 in molecule.smi (1510/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL3216018 in molecule.smi (1509/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL3215768 in molecule.smi (1512/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL3215769 in molecule.smi (1511/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL3216429 in molecule.smi (1514/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL3215572 in molecule.smi (1513/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL556581 in molecule.smi (1516/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL555300 in molecule.smi (1515/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL574267 in molecule.smi (1518/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL540178 in molecule.smi (1517/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL573094 in molecule.smi (1519/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL575614 in molecule.smi (1521/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL584603 in molecule.smi (1520/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL583776 in molecule.smi (1523/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL574746 in molecule.smi (1522/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL574747 in molecule.smi (1524/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL584003 in molecule.smi (1525/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL576189 in molecule.smi (1526/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL574261 in molecule.smi (1527/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL576384 in molecule.smi (1528/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL572858 in molecule.smi (1529/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL574948 in molecule.smi (1530/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL576004 in molecule.smi (1531/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL575166 in molecule.smi (1532/4695). 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Average speed: 0.21 s/mol.\n", - "Processing CHEMBL572453 in molecule.smi (1556/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL572532 in molecule.smi (1555/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL574847 in molecule.smi (1557/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1794936 in molecule.smi (1559/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL569978 in molecule.smi (1558/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL567532 in molecule.smi (1561/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL558598 in molecule.smi (1560/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL570159 in molecule.smi (1563/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL570158 in molecule.smi (1562/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL583855 in molecule.smi (1565/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL571730 in molecule.smi (1564/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL604478 in molecule.smi (1566/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL595115 in molecule.smi (1567/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL594870 in molecule.smi (1568/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL605303 in molecule.smi (1569/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL606348 in molecule.smi (1570/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL593933 in molecule.smi (1571/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL596236 in molecule.smi (1572/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL595114 in molecule.smi (1573/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL594186 in molecule.smi (1574/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL594187 in molecule.smi (1575/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL596457 in molecule.smi (1577/4695). 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Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1025 in molecule.smi (1588/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL603622 in molecule.smi (1589/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL599644 in molecule.smi (1590/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL597188 in molecule.smi (1591/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL597795 in molecule.smi (1593/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL604096 in molecule.smi (1592/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL598824 in molecule.smi (1595/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL597794 in molecule.smi (1594/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL599058 in molecule.smi (1596/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL603256 in molecule.smi (1597/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL599057 in molecule.smi (1598/4695). 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Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082427 in molecule.smi (1653/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085029 in molecule.smi (1655/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085022 in molecule.smi (1657/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085284 in molecule.smi (1656/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082428 in molecule.smi (1659/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084442 in molecule.smi (1658/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082747 in molecule.smi (1661/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082746 in molecule.smi (1660/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085279 in molecule.smi (1663/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082748 in molecule.smi (1662/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082750 in molecule.smi (1665/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082749 in molecule.smi (1664/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083063 in molecule.smi (1666/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083064 in molecule.smi (1667/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084709 in molecule.smi (1669/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083373 in molecule.smi (1668/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085280 in molecule.smi (1670/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL75110 in molecule.smi (1672/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085281 in molecule.smi (1671/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL308793 in molecule.smi (1674/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL311017 in molecule.smi (1673/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74922 in molecule.smi (1676/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74560 in molecule.smi (1675/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085858 in molecule.smi (1678/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL73339 in molecule.smi (1677/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL306776 in molecule.smi (1679/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL76108 in molecule.smi (1681/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL73447 in molecule.smi (1680/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL308807 in molecule.smi (1683/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL73974 in molecule.smi (1682/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL306175 in molecule.smi (1685/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74832 in molecule.smi (1684/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL75649 in molecule.smi (1687/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74809 in molecule.smi (1686/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL310918 in molecule.smi (1689/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL306179 in molecule.smi (1688/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74359 in molecule.smi (1690/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083661 in molecule.smi (1692/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL307693 in molecule.smi (1691/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083660 in molecule.smi (1693/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL73593 in molecule.smi (1694/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083662 in molecule.smi (1695/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL76470 in molecule.smi (1696/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084254 in molecule.smi (1697/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL75157 in molecule.smi (1698/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74747 in molecule.smi (1699/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL310467 in molecule.smi (1700/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL307513 in molecule.smi (1701/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74962 in molecule.smi (1702/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL72967 in molecule.smi (1704/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL309173 in molecule.smi (1703/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74533 in molecule.smi (1705/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL75127 in molecule.smi (1706/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL308093 in molecule.smi (1707/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL76384 in molecule.smi (1708/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL420378 in molecule.smi (1709/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74340 in molecule.smi (1710/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL307832 in molecule.smi (1711/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74698 in molecule.smi (1712/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084703 in molecule.smi (1713/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085285 in molecule.smi (1714/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083065 in molecule.smi (1715/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083066 in molecule.smi (1716/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083067 in molecule.smi (1717/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083375 in molecule.smi (1718/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085125 in molecule.smi (1719/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085126 in molecule.smi (1720/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085127 in molecule.smi (1721/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084635 in molecule.smi (1722/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084880 in molecule.smi (1723/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085382 in molecule.smi (1725/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085128 in molecule.smi (1724/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084881 in molecule.smi (1727/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085383 in molecule.smi (1726/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1086090 in molecule.smi (1729/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084882 in molecule.smi (1728/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085385 in molecule.smi (1731/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085384 in molecule.smi (1730/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085629 in molecule.smi (1733/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085386 in molecule.smi (1732/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085630 in molecule.smi (1734/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085011 in molecule.smi (1735/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL56470 in molecule.smi (1737/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL55014 in molecule.smi (1736/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL55312 in molecule.smi (1738/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL140737 in molecule.smi (1740/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141873 in molecule.smi (1739/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL340621 in molecule.smi (1742/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL126354 in molecule.smi (1741/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL340672 in molecule.smi (1744/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL140769 in molecule.smi (1743/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL127527 in molecule.smi (1746/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141853 in molecule.smi (1745/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141167 in molecule.smi (1748/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141801 in molecule.smi (1747/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL140936 in molecule.smi (1750/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL340609 in molecule.smi (1749/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL125578 in molecule.smi (1752/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141352 in molecule.smi (1751/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL333909 in molecule.smi (1753/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL106891 in molecule.smi (1754/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL326868 in molecule.smi (1756/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL419184 in molecule.smi (1755/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL336686 in molecule.smi (1758/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL105874 in molecule.smi (1757/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL140948 in molecule.smi (1760/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL123909 in molecule.smi (1759/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL139353 in molecule.smi (1761/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL138107 in molecule.smi (1763/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL433678 in molecule.smi (1762/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL140770 in molecule.smi (1764/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084256 in molecule.smi (1765/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL140999 in molecule.smi (1766/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141001 in molecule.smi (1767/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL138442 in molecule.smi (1768/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141622 in molecule.smi (1769/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL140106 in molecule.smi (1770/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141203 in molecule.smi (1771/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL142014 in molecule.smi (1772/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL140990 in molecule.smi (1773/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL142013 in molecule.smi (1774/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141042 in molecule.smi (1775/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL140328 in molecule.smi (1776/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141810 in molecule.smi (1777/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL342413 in molecule.smi (1778/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141276 in molecule.smi (1779/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL138552 in molecule.smi (1780/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL141515 in molecule.smi (1781/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL129753 in molecule.smi (1783/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083069 in molecule.smi (1782/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL337999 in molecule.smi (1785/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083070 in molecule.smi (1784/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL128863 in molecule.smi (1787/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083379 in molecule.smi (1786/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL336297 in molecule.smi (1788/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL128260 in molecule.smi (1790/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL130847 in molecule.smi (1789/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL131827 in molecule.smi (1791/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084090 in molecule.smi (1793/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL130918 in molecule.smi (1792/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL340625 in molecule.smi (1794/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084883 in molecule.smi (1796/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL128551 in molecule.smi (1795/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084091 in molecule.smi (1798/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL128618 in molecule.smi (1797/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL128471 in molecule.smi (1800/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085129 in molecule.smi (1799/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL128043 in molecule.smi (1801/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084366 in molecule.smi (1802/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL128202 in molecule.smi (1803/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL339039 in molecule.smi (1804/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082419 in molecule.smi (1805/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL131219 in molecule.smi (1806/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL128452 in molecule.smi (1807/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083976 in molecule.smi (1808/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL131579 in molecule.smi (1809/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL131411 in molecule.smi (1810/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083977 in molecule.smi (1811/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL151417 in molecule.smi (1812/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL281588 in molecule.smi (1813/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL278819 in molecule.smi (1814/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085019 in molecule.smi (1815/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL150985 in molecule.smi (1816/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085020 in molecule.smi (1817/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085021 in molecule.smi (1818/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083676 in molecule.smi (1819/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL150365 in molecule.smi (1820/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082740 in molecule.smi (1821/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082741 in molecule.smi (1822/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL356224 in molecule.smi (1823/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085937 in molecule.smi (1824/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085274 in molecule.smi (1825/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085275 in molecule.smi (1826/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084255 in molecule.smi (1827/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL25264 in molecule.smi (1828/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083054 in molecule.smi (1829/4695). 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Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084787 in molecule.smi (1840/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084789 in molecule.smi (1842/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082434 in molecule.smi (1844/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082433 in molecule.smi (1843/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084275 in molecule.smi (1846/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082435 in molecule.smi (1845/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084790 in molecule.smi (1847/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL100334 in molecule.smi (1849/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082436 in molecule.smi (1848/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL102142 in molecule.smi (1850/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL431058 in molecule.smi (1851/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL430679 in molecule.smi (1853/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL101518 in molecule.smi (1852/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL101940 in molecule.smi (1854/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL100510 in molecule.smi (1856/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL101809 in molecule.smi (1855/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085031 in molecule.smi (1858/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085030 in molecule.smi (1857/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL101155 in molecule.smi (1859/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL317541 in molecule.smi (1860/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL420827 in molecule.smi (1862/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL101988 in molecule.smi (1861/4695). 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Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082738 in molecule.smi (1885/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1082739 in molecule.smi (1886/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL118752 in molecule.smi (1887/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL330883 in molecule.smi (1888/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL118968 in molecule.smi (1889/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL331637 in molecule.smi (1890/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL118033 in molecule.smi (1891/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084952 in molecule.smi (1892/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL332454 in molecule.smi (1893/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL119634 in molecule.smi (1894/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL118139 in molecule.smi (1895/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL117826 in molecule.smi (1896/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL115697 in molecule.smi (1897/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL325203 in molecule.smi (1898/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL115580 in molecule.smi (1899/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL119528 in molecule.smi (1900/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL119390 in molecule.smi (1901/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL119389 in molecule.smi (1902/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085276 in molecule.smi (1903/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083677 in molecule.smi (1904/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083678 in molecule.smi (1905/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083982 in molecule.smi (1906/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083056 in molecule.smi (1907/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085277 in molecule.smi (1908/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085278 in molecule.smi (1909/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085526 in molecule.smi (1910/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085527 in molecule.smi (1911/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1086245 in molecule.smi (1912/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1086246 in molecule.smi (1913/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1086247 in molecule.smi (1914/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1086248 in molecule.smi (1915/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084276 in molecule.smi (1916/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL94054 in molecule.smi (1917/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL90241 in molecule.smi (1918/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL91240 in molecule.smi (1919/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL90264 in molecule.smi (1920/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL91432 in molecule.smi (1921/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL91774 in molecule.smi (1922/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL421501 in molecule.smi (1923/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL76014 in molecule.smi (1924/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74827 in molecule.smi (1925/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL73800 in molecule.smi (1926/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74940 in molecule.smi (1928/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL75274 in molecule.smi (1927/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL312761 in molecule.smi (1930/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL74927 in molecule.smi (1929/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL307004 in molecule.smi (1932/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL73160 in molecule.smi (1931/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL75305 in molecule.smi (1934/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL312310 in molecule.smi (1933/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL75985 in molecule.smi (1936/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL76173 in molecule.smi (1935/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL307908 in molecule.smi (1938/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083488 in molecule.smi (1937/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084155 in molecule.smi (1940/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL306492 in molecule.smi (1939/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084777 in molecule.smi (1942/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084776 in molecule.smi (1941/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085018 in molecule.smi (1944/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085017 in molecule.smi (1943/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085932 in molecule.smi (1946/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083374 in molecule.smi (1945/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085938 in molecule.smi (1948/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085933 in molecule.smi (1947/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085939 in molecule.smi (1949/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL224158 in molecule.smi (1951/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1085940 in molecule.smi (1950/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083983 in molecule.smi (1953/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL224335 in molecule.smi (1952/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL389192 in molecule.smi (1955/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1083984 in molecule.smi (1954/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084263 in molecule.smi (1957/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL1084262 in molecule.smi (1956/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL388551 in molecule.smi (1959/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL224336 in molecule.smi (1958/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL223170 in molecule.smi (1960/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL224202 in molecule.smi (1961/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL224998 in molecule.smi (1963/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL388575 in molecule.smi (1962/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL223714 in molecule.smi (1965/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL388627 in molecule.smi (1964/4695). Average speed: 0.21 s/mol.\n", - "Processing CHEMBL426015 in molecule.smi (1967/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL427082 in molecule.smi (1966/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1086007 in molecule.smi (1969/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL388615 in molecule.smi (1968/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1084545 in molecule.smi (1971/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1084544 in molecule.smi (1970/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL427342 in molecule.smi (1972/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL325109 in molecule.smi (1974/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL185896 in molecule.smi (1973/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL189870 in molecule.smi (1976/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL362579 in molecule.smi (1975/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL360186 in molecule.smi (1977/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL188019 in molecule.smi (1979/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL187030 in molecule.smi (1978/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1086358 in molecule.smi (1980/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL189764 in molecule.smi (1982/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL186896 in molecule.smi (1981/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL189875 in molecule.smi (1984/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1085465 in molecule.smi (1983/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL186349 in molecule.smi (1986/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL187017 in molecule.smi (1985/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL186400 in molecule.smi (1988/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL187370 in molecule.smi (1987/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL328085 in molecule.smi (1989/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1085702 in molecule.smi (1990/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1085703 in molecule.smi (1991/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL3215602 in molecule.smi (1992/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL3215816 in molecule.smi (1993/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL3216469 in molecule.smi (1994/4695). 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Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1243360 in molecule.smi (2006/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1243329 in molecule.smi (2007/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1243359 in molecule.smi (2008/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1240668 in molecule.smi (2009/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1243297 in molecule.smi (2010/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1243269 in molecule.smi (2011/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1243268 in molecule.smi (2012/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1243388 in molecule.smi (2014/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1243234 in molecule.smi (2013/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1243170 in molecule.smi (2015/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1241457 in molecule.smi (2017/4695). 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Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1257887 in molecule.smi (2028/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1257886 in molecule.smi (2029/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1257885 in molecule.smi (2030/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1257767 in molecule.smi (2031/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1257766 in molecule.smi (2032/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1257644 in molecule.smi (2033/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1257413 in molecule.smi (2034/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1257525 in molecule.smi (2035/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1257412 in molecule.smi (2036/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1256415 in molecule.smi (2037/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1276594 in molecule.smi (2038/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1276534 in molecule.smi (2039/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1276567 in molecule.smi (2040/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1275924 in molecule.smi (2041/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289045 in molecule.smi (2042/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289159 in molecule.smi (2043/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289160 in molecule.smi (2044/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289273 in molecule.smi (2045/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289274 in molecule.smi (2046/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289391 in molecule.smi (2047/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289392 in molecule.smi (2048/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289507 in molecule.smi (2050/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289506 in molecule.smi (2049/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1288821 in molecule.smi (2051/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289615 in molecule.smi (2052/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289719 in molecule.smi (2053/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289825 in molecule.smi (2054/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1288822 in molecule.smi (2055/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1289942 in molecule.smi (2056/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1290043 in molecule.smi (2057/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1288823 in molecule.smi (2058/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1288824 in molecule.smi (2059/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1290152 in molecule.smi (2060/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1288825 in molecule.smi (2061/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1288826 in molecule.smi (2062/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1288827 in molecule.smi (2063/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1288828 in molecule.smi (2064/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1288829 in molecule.smi (2065/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642977 in molecule.smi (2066/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642979 in molecule.smi (2068/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL594629 in molecule.smi (2067/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642976 in molecule.smi (2069/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642980 in molecule.smi (2071/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642988 in molecule.smi (2070/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642978 in molecule.smi (2073/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642975 in molecule.smi (2072/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642987 in molecule.smi (2074/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642986 in molecule.smi (2075/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642984 in molecule.smi (2076/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642973 in molecule.smi (2078/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642983 in molecule.smi (2077/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642981 in molecule.smi (2080/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642985 in molecule.smi (2079/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642972 in molecule.smi (2081/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642982 in molecule.smi (2083/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642971 in molecule.smi (2082/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642974 in molecule.smi (2085/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1642970 in molecule.smi (2084/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL291233 in molecule.smi (2086/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL426113 in molecule.smi (2088/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1200970 in molecule.smi (2087/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL451825 in molecule.smi (2089/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL397871 in molecule.smi (2090/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL238977 in molecule.smi (2091/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1644323 in molecule.smi (2092/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1644325 in molecule.smi (2093/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1644328 in molecule.smi (2094/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651042 in molecule.smi (2095/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651043 in molecule.smi (2096/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651044 in molecule.smi (2097/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651045 in molecule.smi (2098/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651046 in molecule.smi (2099/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651040 in molecule.smi (2101/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651041 in molecule.smi (2100/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651047 in molecule.smi (2102/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651048 in molecule.smi (2103/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651038 in molecule.smi (2104/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1196495 in molecule.smi (2106/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651125 in molecule.smi (2105/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651126 in molecule.smi (2107/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651128 in molecule.smi (2109/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651127 in molecule.smi (2108/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651130 in molecule.smi (2111/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651129 in molecule.smi (2110/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651132 in molecule.smi (2113/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651131 in molecule.smi (2112/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651134 in molecule.smi (2115/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651133 in molecule.smi (2114/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651136 in molecule.smi (2117/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651135 in molecule.smi (2116/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651137 in molecule.smi (2118/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651138 in molecule.smi (2119/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651139 in molecule.smi (2120/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651140 in molecule.smi (2121/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651243 in molecule.smi (2123/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651141 in molecule.smi (2122/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651244 in molecule.smi (2124/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651245 in molecule.smi (2125/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1179697 in molecule.smi (2126/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651246 in molecule.smi (2127/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651247 in molecule.smi (2128/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651248 in molecule.smi (2129/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651249 in molecule.smi (2130/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1651250 in molecule.smi (2131/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669479 in molecule.smi (2132/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669480 in molecule.smi (2133/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669482 in molecule.smi (2135/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669481 in molecule.smi (2134/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669484 in molecule.smi (2137/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669483 in molecule.smi (2136/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669485 in molecule.smi (2138/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669486 in molecule.smi (2139/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL104553 in molecule.smi (2140/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1643944 in molecule.smi (2141/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL105537 in molecule.smi (2143/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL104613 in molecule.smi (2142/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669488 in molecule.smi (2145/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669487 in molecule.smi (2144/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669489 in molecule.smi (2146/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669490 in molecule.smi (2147/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669491 in molecule.smi (2148/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669492 in molecule.smi (2149/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669493 in molecule.smi (2150/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1669494 in molecule.smi (2151/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1668333 in molecule.smi (2152/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1668334 in molecule.smi (2153/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1761991 in molecule.smi (2154/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1761992 in molecule.smi (2155/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1761993 in molecule.smi (2156/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL601410 in molecule.smi (2157/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1761994 in molecule.smi (2158/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1761995 in molecule.smi (2159/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL105017 in molecule.smi (2160/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL225577 in molecule.smi (2161/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL104387 in molecule.smi (2163/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL105257 in molecule.smi (2162/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1761996 in molecule.smi (2164/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1761997 in molecule.smi (2165/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1761998 in molecule.smi (2166/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1761999 in molecule.smi (2167/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1762000 in molecule.smi (2168/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1762001 in molecule.smi (2169/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1762003 in molecule.smi (2170/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1555 in molecule.smi (2171/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766151 in molecule.smi (2172/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1084213 in molecule.smi (2173/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1084212 in molecule.smi (2174/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1084211 in molecule.smi (2175/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1084210 in molecule.smi (2176/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766150 in molecule.smi (2177/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1082981 in molecule.smi (2178/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1082979 in molecule.smi (2180/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1082980 in molecule.smi (2179/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1082978 in molecule.smi (2182/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1085505 in molecule.smi (2181/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766148 in molecule.smi (2184/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766149 in molecule.smi (2183/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766146 in molecule.smi (2186/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766147 in molecule.smi (2185/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766145 in molecule.smi (2187/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766144 in molecule.smi (2188/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766143 in molecule.smi (2189/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766142 in molecule.smi (2190/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766141 in molecule.smi (2191/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766140 in molecule.smi (2192/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766139 in molecule.smi (2193/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766020 in molecule.smi (2194/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766019 in molecule.smi (2195/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766018 in molecule.smi (2196/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766017 in molecule.smi (2197/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1082977 in molecule.smi (2199/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1766016 in molecule.smi (2198/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1086014 in molecule.smi (2201/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1084808 in molecule.smi (2200/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1085780 in molecule.smi (2203/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1085781 in molecule.smi (2202/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1770549 in molecule.smi (2205/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1770548 in molecule.smi (2204/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1770551 in molecule.smi (2207/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1770550 in molecule.smi (2206/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1770552 in molecule.smi (2208/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1770553 in molecule.smi (2209/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1770554 in molecule.smi (2210/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1770555 in molecule.smi (2211/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL188821 in molecule.smi (2212/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL187404 in molecule.smi (2213/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1771549 in molecule.smi (2214/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1771556 in molecule.smi (2215/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773478 in molecule.smi (2216/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773479 in molecule.smi (2217/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773480 in molecule.smi (2218/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773481 in molecule.smi (2219/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773482 in molecule.smi (2220/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773483 in molecule.smi (2221/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773484 in molecule.smi (2222/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773485 in molecule.smi (2223/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773486 in molecule.smi (2224/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773487 in molecule.smi (2225/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773488 in molecule.smi (2226/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773489 in molecule.smi (2227/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773490 in molecule.smi (2228/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773491 in molecule.smi (2229/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1773492 in molecule.smi (2230/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1080386 in molecule.smi (2231/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1782707 in molecule.smi (2232/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1206 in molecule.smi (2233/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1782730 in molecule.smi (2234/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1784957 in molecule.smi (2235/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1784956 in molecule.smi (2236/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1784955 in molecule.smi (2237/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1784958 in molecule.smi (2238/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783529 in molecule.smi (2239/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783530 in molecule.smi (2240/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783531 in molecule.smi (2241/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783532 in molecule.smi (2242/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783533 in molecule.smi (2244/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1782071 in molecule.smi (2243/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783534 in molecule.smi (2245/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783535 in molecule.smi (2246/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783520 in molecule.smi (2247/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783521 in molecule.smi (2248/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783522 in molecule.smi (2249/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783523 in molecule.smi (2250/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783524 in molecule.smi (2251/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783525 in molecule.smi (2252/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783526 in molecule.smi (2253/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783527 in molecule.smi (2254/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783528 in molecule.smi (2255/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783514 in molecule.smi (2256/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783515 in molecule.smi (2257/4695). Average speed: 0.22 s/mol.\n", - "Processing CHEMBL1783516 in molecule.smi (2258/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1783517 in molecule.smi (2259/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1783518 in molecule.smi (2260/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1783519 in molecule.smi (2261/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1783499 in molecule.smi (2262/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL589390 in molecule.smi (2263/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1814729 in molecule.smi (2264/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1814730 in molecule.smi (2265/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819169 in molecule.smi (2267/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1814731 in molecule.smi (2266/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819171 in molecule.smi (2269/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819170 in molecule.smi (2268/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819172 in molecule.smi (2270/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819173 in molecule.smi (2271/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819174 in molecule.smi (2272/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819175 in molecule.smi (2273/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819176 in molecule.smi (2274/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819177 in molecule.smi (2275/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819178 in molecule.smi (2276/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819179 in molecule.smi (2277/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1819180 in molecule.smi (2278/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834076 in molecule.smi (2279/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834060 in molecule.smi (2280/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834061 in molecule.smi (2281/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834062 in molecule.smi (2282/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834063 in molecule.smi (2283/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834064 in molecule.smi (2284/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834065 in molecule.smi (2285/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834066 in molecule.smi (2286/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834067 in molecule.smi (2287/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834068 in molecule.smi (2288/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834069 in molecule.smi (2289/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834070 in molecule.smi (2290/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834071 in molecule.smi (2291/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834072 in molecule.smi (2292/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834073 in molecule.smi (2293/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834074 in molecule.smi (2294/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834075 in molecule.smi (2295/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834077 in molecule.smi (2296/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834078 in molecule.smi (2297/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834079 in molecule.smi (2298/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834806 in molecule.smi (2299/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834808 in molecule.smi (2300/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834807 in molecule.smi (2301/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834809 in molecule.smi (2302/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834877 in molecule.smi (2303/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834810 in molecule.smi (2304/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1834811 in molecule.smi (2305/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL221753 in molecule.smi (2306/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL31184 in molecule.smi (2308/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL12089 in molecule.smi (2307/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL990 in molecule.smi (2309/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL195437 in molecule.smi (2311/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL40583 in molecule.smi (2310/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL305660 in molecule.smi (2312/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL64894 in molecule.smi (2313/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL808 in molecule.smi (2314/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL496 in molecule.smi (2315/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1200623 in molecule.smi (2316/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL672 in molecule.smi (2317/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL7002 in molecule.smi (2318/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL12131 in molecule.smi (2319/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL104 in molecule.smi (2320/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL411 in molecule.smi (2321/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL334255 in molecule.smi (2322/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3183075 in molecule.smi (2323/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1262 in molecule.smi (2324/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL7568 in molecule.smi (2325/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL91 in molecule.smi (2326/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL19215 in molecule.smi (2327/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL481 in molecule.smi (2328/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1306 in molecule.smi (2329/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL81 in molecule.smi (2330/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1912062 in molecule.smi (2331/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1912061 in molecule.smi (2332/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1912060 in molecule.smi (2333/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1912059 in molecule.smi (2334/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1912058 in molecule.smi (2335/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1912063 in molecule.smi (2336/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1912064 in molecule.smi (2337/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1917825 in molecule.smi (2338/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1917826 in molecule.smi (2339/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1618217 in molecule.smi (2340/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1618106 in molecule.smi (2341/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1914495 in molecule.smi (2342/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1915758 in molecule.smi (2343/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1915759 in molecule.smi (2344/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1086927 in molecule.smi (2345/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1087180 in molecule.smi (2346/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1087131 in molecule.smi (2348/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL465514 in molecule.smi (2347/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1915760 in molecule.smi (2350/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL240972 in molecule.smi (2349/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1915762 in molecule.smi (2352/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1915761 in molecule.smi (2351/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1915763 in molecule.smi (2354/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1098479 in molecule.smi (2353/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1915764 in molecule.smi (2355/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL465487 in molecule.smi (2356/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL512830 in molecule.smi (2358/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL460969 in molecule.smi (2357/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1915765 in molecule.smi (2359/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1915766 in molecule.smi (2360/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1916475 in molecule.smi (2361/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1916766 in molecule.smi (2362/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1916768 in molecule.smi (2363/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1916770 in molecule.smi (2364/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1916927 in molecule.smi (2365/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1916929 in molecule.smi (2366/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1922540 in molecule.smi (2367/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1922541 in molecule.smi (2368/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL180483 in molecule.smi (2369/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1929421 in molecule.smi (2370/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940736 in molecule.smi (2371/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940737 in molecule.smi (2372/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940738 in molecule.smi (2373/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940612 in molecule.smi (2374/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940613 in molecule.smi (2375/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940614 in molecule.smi (2376/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940615 in molecule.smi (2377/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940616 in molecule.smi (2378/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940617 in molecule.smi (2379/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940618 in molecule.smi (2380/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1940619 in molecule.smi (2381/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952057 in molecule.smi (2382/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952058 in molecule.smi (2383/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952059 in molecule.smi (2384/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952060 in molecule.smi (2385/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952061 in molecule.smi (2386/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952062 in molecule.smi (2387/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952063 in molecule.smi (2388/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952064 in molecule.smi (2389/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952065 in molecule.smi (2390/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952066 in molecule.smi (2391/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952067 in molecule.smi (2392/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952047 in molecule.smi (2393/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952048 in molecule.smi (2394/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952049 in molecule.smi (2395/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952050 in molecule.smi (2396/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952051 in molecule.smi (2397/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952052 in molecule.smi (2398/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952053 in molecule.smi (2399/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952054 in molecule.smi (2400/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952055 in molecule.smi (2401/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952056 in molecule.smi (2402/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011402 in molecule.smi (2403/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL459258 in molecule.smi (2404/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011403 in molecule.smi (2405/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011404 in molecule.smi (2406/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL253152 in molecule.smi (2407/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL374130 in molecule.smi (2409/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011405 in molecule.smi (2408/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011406 in molecule.smi (2411/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL223256 in molecule.smi (2410/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL399121 in molecule.smi (2412/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL8996 in molecule.smi (2414/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL9352 in molecule.smi (2413/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3215882 in molecule.smi (2416/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011483 in molecule.smi (2415/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3217208 in molecule.smi (2418/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3216777 in molecule.smi (2417/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011488 in molecule.smi (2420/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011487 in molecule.smi (2419/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3216554 in molecule.smi (2422/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3216116 in molecule.smi (2421/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3216555 in molecule.smi (2424/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011491 in molecule.smi (2423/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3216556 in molecule.smi (2425/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3216557 in molecule.smi (2426/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011495 in molecule.smi (2427/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011496 in molecule.smi (2428/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3216778 in molecule.smi (2429/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3216779 in molecule.smi (2430/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1994202 in molecule.smi (2431/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2011499 in molecule.smi (2432/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL340807 in molecule.smi (2433/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2018160 in molecule.smi (2434/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2018161 in molecule.smi (2435/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL376478 in molecule.smi (2436/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2018162 in molecule.smi (2437/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019052 in molecule.smi (2439/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019053 in molecule.smi (2438/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019048 in molecule.smi (2441/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019049 in molecule.smi (2440/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019046 in molecule.smi (2443/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019047 in molecule.smi (2442/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019043 in molecule.smi (2445/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019044 in molecule.smi (2444/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019040 in molecule.smi (2447/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019041 in molecule.smi (2446/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019038 in molecule.smi (2448/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019037 in molecule.smi (2449/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019035 in molecule.smi (2450/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019034 in molecule.smi (2451/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019032 in molecule.smi (2452/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2019030 in molecule.smi (2453/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2022933 in molecule.smi (2454/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047529 in molecule.smi (2456/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047528 in molecule.smi (2455/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047530 in molecule.smi (2457/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047531 in molecule.smi (2458/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047231 in molecule.smi (2460/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047375 in molecule.smi (2459/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047229 in molecule.smi (2462/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047230 in molecule.smi (2461/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047228 in molecule.smi (2463/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047227 in molecule.smi (2464/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047226 in molecule.smi (2465/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047225 in molecule.smi (2466/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047224 in molecule.smi (2467/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2047223 in molecule.smi (2468/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2064471 in molecule.smi (2469/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2064470 in molecule.smi (2470/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2064469 in molecule.smi (2471/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2064466 in molecule.smi (2473/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2064468 in molecule.smi (2472/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2064464 in molecule.smi (2475/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2064465 in molecule.smi (2474/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2071424 in molecule.smi (2477/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2064404 in molecule.smi (2476/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2071426 in molecule.smi (2479/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2071425 in molecule.smi (2478/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2071427 in molecule.smi (2480/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL463686 in molecule.smi (2481/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2071428 in molecule.smi (2482/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL1952289 in molecule.smi (2483/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2088687 in molecule.smi (2484/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2088780 in molecule.smi (2485/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2088781 in molecule.smi (2486/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2088782 in molecule.smi (2487/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2088783 in molecule.smi (2488/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2088784 in molecule.smi (2489/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2088785 in molecule.smi (2490/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2088786 in molecule.smi (2491/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2147460 in molecule.smi (2492/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2147462 in molecule.smi (2493/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2147461 in molecule.smi (2494/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160227 in molecule.smi (2495/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160226 in molecule.smi (2496/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160223 in molecule.smi (2497/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160225 in molecule.smi (2498/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160221 in molecule.smi (2499/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160220 in molecule.smi (2500/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160224 in molecule.smi (2501/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160222 in molecule.smi (2502/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160217 in molecule.smi (2503/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160228 in molecule.smi (2504/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2160213 in molecule.smi (2505/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2163795 in molecule.smi (2507/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL258893 in molecule.smi (2506/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2181440 in molecule.smi (2508/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2181438 in molecule.smi (2509/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2181435 in molecule.smi (2511/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2181437 in molecule.smi (2510/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2181433 in molecule.smi (2512/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2181432 in molecule.smi (2513/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2181430 in molecule.smi (2515/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2181431 in molecule.smi (2514/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206900 in molecule.smi (2516/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206899 in molecule.smi (2517/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206897 in molecule.smi (2519/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206898 in molecule.smi (2518/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206896 in molecule.smi (2520/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206895 in molecule.smi (2521/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206894 in molecule.smi (2522/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206893 in molecule.smi (2523/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206892 in molecule.smi (2524/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2206891 in molecule.smi (2525/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2238007 in molecule.smi (2526/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2238006 in molecule.smi (2527/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2238005 in molecule.smi (2528/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2238004 in molecule.smi (2529/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2238003 in molecule.smi (2530/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2238002 in molecule.smi (2531/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2238001 in molecule.smi (2532/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2238000 in molecule.smi (2533/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2237999 in molecule.smi (2534/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2237998 in molecule.smi (2535/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2237996 in molecule.smi (2537/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2237997 in molecule.smi (2536/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2237994 in molecule.smi (2539/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2237995 in molecule.smi (2538/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2237992 in molecule.smi (2541/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2237993 in molecule.smi (2540/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2237991 in molecule.smi (2542/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL400257 in molecule.smi (2543/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL607537 in molecule.smi (2544/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL256497 in molecule.smi (2545/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL21396 in molecule.smi (2546/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL128392 in molecule.smi (2547/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL128780 in molecule.smi (2548/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL129577 in molecule.smi (2549/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL128390 in molecule.smi (2550/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2236393 in molecule.smi (2552/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2236394 in molecule.smi (2551/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234536 in molecule.smi (2554/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234537 in molecule.smi (2553/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234534 in molecule.smi (2556/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234535 in molecule.smi (2555/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234532 in molecule.smi (2558/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234533 in molecule.smi (2557/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234531 in molecule.smi (2559/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234530 in molecule.smi (2560/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234529 in molecule.smi (2561/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234528 in molecule.smi (2562/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234527 in molecule.smi (2563/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234526 in molecule.smi (2564/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234525 in molecule.smi (2565/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234524 in molecule.smi (2566/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234523 in molecule.smi (2567/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234522 in molecule.smi (2568/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234521 in molecule.smi (2569/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234520 in molecule.smi (2570/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234519 in molecule.smi (2571/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234518 in molecule.smi (2572/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234517 in molecule.smi (2573/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234516 in molecule.smi (2574/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234515 in molecule.smi (2575/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234513 in molecule.smi (2577/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234514 in molecule.smi (2576/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234511 in molecule.smi (2579/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234512 in molecule.smi (2578/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234844 in molecule.smi (2581/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234845 in molecule.smi (2580/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234842 in molecule.smi (2583/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234843 in molecule.smi (2582/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234840 in molecule.smi (2585/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234841 in molecule.smi (2584/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234838 in molecule.smi (2587/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234839 in molecule.smi (2586/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234836 in molecule.smi (2589/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234837 in molecule.smi (2588/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234834 in molecule.smi (2591/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234835 in molecule.smi (2590/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234833 in molecule.smi (2592/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234831 in molecule.smi (2594/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234832 in molecule.smi (2593/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234829 in molecule.smi (2596/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234830 in molecule.smi (2595/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234546 in molecule.smi (2598/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234547 in molecule.smi (2597/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234545 in molecule.smi (2599/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL252378 in molecule.smi (2601/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234544 in molecule.smi (2600/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL253603 in molecule.smi (2602/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL398250 in molecule.smi (2603/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL253602 in molecule.smi (2604/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL398249 in molecule.smi (2605/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL252781 in molecule.smi (2606/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234543 in molecule.smi (2607/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234542 in molecule.smi (2608/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234541 in molecule.smi (2609/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234540 in molecule.smi (2610/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL252578 in molecule.smi (2611/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL252580 in molecule.smi (2612/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234539 in molecule.smi (2613/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2234538 in molecule.smi (2614/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL400675 in molecule.smi (2615/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL252579 in molecule.smi (2616/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL252380 in molecule.smi (2617/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL252379 in molecule.smi (2618/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL399040 in molecule.smi (2619/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL404407 in molecule.smi (2620/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL253783 in molecule.smi (2621/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL253782 in molecule.smi (2622/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL253386 in molecule.smi (2623/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2297278 in molecule.smi (2625/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2297277 in molecule.smi (2624/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL31574 in molecule.smi (2627/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL28 in molecule.smi (2626/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL309490 in molecule.smi (2629/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL164 in molecule.smi (2628/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL226335 in molecule.smi (2631/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2297279 in molecule.smi (2630/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2297280 in molecule.smi (2633/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL594229 in molecule.smi (2632/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL50 in molecule.smi (2634/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2314726 in molecule.smi (2635/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2323356 in molecule.smi (2636/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2323355 in molecule.smi (2637/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2323354 in molecule.smi (2638/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2323353 in molecule.smi (2639/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2323352 in molecule.smi (2640/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2323351 in molecule.smi (2641/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2332981 in molecule.smi (2642/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2332540 in molecule.smi (2643/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2332541 in molecule.smi (2644/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2332530 in molecule.smi (2645/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2332531 in molecule.smi (2646/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2332532 in molecule.smi (2647/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2332533 in molecule.smi (2648/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2332542 in molecule.smi (2650/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332534 in molecule.smi (2649/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2332543 in molecule.smi (2651/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332544 in molecule.smi (2652/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332545 in molecule.smi (2653/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332980 in molecule.smi (2654/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332979 in molecule.smi (2655/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332978 in molecule.smi (2656/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332977 in molecule.smi (2657/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332976 in molecule.smi (2658/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332975 in molecule.smi (2659/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332974 in molecule.smi (2660/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332550 in molecule.smi (2661/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332549 in molecule.smi (2662/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332548 in molecule.smi (2663/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332547 in molecule.smi (2664/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL152675 in molecule.smi (2666/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL350032 in molecule.smi (2665/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332546 in molecule.smi (2668/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL454594 in molecule.smi (2667/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332536 in molecule.smi (2670/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332537 in molecule.smi (2669/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332539 in molecule.smi (2672/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332535 in molecule.smi (2671/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL156016 in molecule.smi (2674/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2332538 in molecule.smi (2673/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2377874 in molecule.smi (2675/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2377878 in molecule.smi (2676/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2377877 in molecule.smi (2677/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2377876 in molecule.smi (2678/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2377875 in molecule.smi (2679/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2375480 in molecule.smi (2680/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2377873 in molecule.smi (2681/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2375483 in molecule.smi (2682/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2375482 in molecule.smi (2683/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2375481 in molecule.smi (2684/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380667 in molecule.smi (2685/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380677 in molecule.smi (2686/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380676 in molecule.smi (2687/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380675 in molecule.smi (2688/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380674 in molecule.smi (2689/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380672 in molecule.smi (2691/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380673 in molecule.smi (2690/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380670 in molecule.smi (2693/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380671 in molecule.smi (2692/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380668 in molecule.smi (2695/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2380669 in molecule.smi (2694/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2386558 in molecule.smi (2697/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2381401 in molecule.smi (2696/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396914 in molecule.smi (2698/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396913 in molecule.smi (2699/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1429841 in molecule.smi (2701/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396912 in molecule.smi (2700/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396910 in molecule.smi (2703/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396911 in molecule.smi (2702/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396908 in molecule.smi (2705/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396909 in molecule.smi (2704/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396907 in molecule.smi (2707/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1572608 in molecule.smi (2706/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396906 in molecule.smi (2708/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396904 in molecule.smi (2710/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396905 in molecule.smi (2709/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1376358 in molecule.smi (2712/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2396903 in molecule.smi (2711/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL145 in molecule.smi (2713/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2402007 in molecule.smi (2715/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1443379 in molecule.smi (2714/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL164660 in molecule.smi (2716/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1079905 in molecule.smi (2717/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL113 in molecule.smi (2719/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL628 in molecule.smi (2718/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2409142 in molecule.smi (2721/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1424 in molecule.smi (2720/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2409141 in molecule.smi (2723/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL448799 in molecule.smi (2722/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413744 in molecule.smi (2725/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2409140 in molecule.smi (2724/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413742 in molecule.smi (2727/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413743 in molecule.smi (2726/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413740 in molecule.smi (2729/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413741 in molecule.smi (2728/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413738 in molecule.smi (2731/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413739 in molecule.smi (2730/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413736 in molecule.smi (2733/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413737 in molecule.smi (2732/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413734 in molecule.smi (2735/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413735 in molecule.smi (2734/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2413732 in molecule.smi (2737/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2413733 in molecule.smi (2736/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2413561 in molecule.smi (2738/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2413560 in molecule.smi (2739/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2413559 in molecule.smi (2740/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2413558 in molecule.smi (2741/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2413745 in molecule.smi (2742/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2413746 in molecule.smi (2743/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL377740 in molecule.smi (2744/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419690 in molecule.smi (2745/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419688 in molecule.smi (2747/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419689 in molecule.smi (2746/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419687 in molecule.smi (2748/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419686 in molecule.smi (2749/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419684 in molecule.smi (2751/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419685 in molecule.smi (2750/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419683 in molecule.smi (2752/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419681 in molecule.smi (2754/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2419682 in molecule.smi (2753/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425415 in molecule.smi (2755/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425414 in molecule.smi (2756/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425413 in molecule.smi (2757/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425412 in molecule.smi (2758/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425410 in molecule.smi (2759/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425409 in molecule.smi (2760/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425408 in molecule.smi (2761/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425407 in molecule.smi (2762/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425418 in molecule.smi (2763/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2425417 in molecule.smi (2764/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441695 in molecule.smi (2765/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441694 in molecule.smi (2766/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441693 in molecule.smi (2767/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441692 in molecule.smi (2768/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441691 in molecule.smi (2769/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441690 in molecule.smi (2770/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441689 in molecule.smi (2771/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441688 in molecule.smi (2772/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441687 in molecule.smi (2773/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441686 in molecule.smi (2774/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441685 in molecule.smi (2775/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441684 in molecule.smi (2776/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2440134 in molecule.smi (2777/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441683 in molecule.smi (2778/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441682 in molecule.smi (2779/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441681 in molecule.smi (2780/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441680 in molecule.smi (2781/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441679 in molecule.smi (2782/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441678 in molecule.smi (2783/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441676 in molecule.smi (2785/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441677 in molecule.smi (2784/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441674 in molecule.smi (2787/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441675 in molecule.smi (2786/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441672 in molecule.smi (2789/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441673 in molecule.smi (2788/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441670 in molecule.smi (2791/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441671 in molecule.smi (2790/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441669 in molecule.smi (2792/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441668 in molecule.smi (2793/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441667 in molecule.smi (2794/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441666 in molecule.smi (2795/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL2441665 in molecule.smi (2796/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3087683 in molecule.smi (2797/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3087682 in molecule.smi (2798/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3087681 in molecule.smi (2799/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3087680 in molecule.smi (2800/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3087679 in molecule.smi (2801/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3087677 in molecule.smi (2802/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3087676 in molecule.smi (2803/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3087675 in molecule.smi (2804/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3087674 in molecule.smi (2805/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3085881 in molecule.smi (2806/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL398628 in molecule.smi (2808/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL430403 in molecule.smi (2807/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3086278 in molecule.smi (2810/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3086279 in molecule.smi (2809/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3086277 in molecule.smi (2811/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093180 in molecule.smi (2813/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3086276 in molecule.smi (2812/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093174 in molecule.smi (2815/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093175 in molecule.smi (2814/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093791 in molecule.smi (2817/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093173 in molecule.smi (2816/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093804 in molecule.smi (2819/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093787 in molecule.smi (2818/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093802 in molecule.smi (2821/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093803 in molecule.smi (2820/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093801 in molecule.smi (2822/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093800 in molecule.smi (2823/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093799 in molecule.smi (2824/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093798 in molecule.smi (2825/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093797 in molecule.smi (2826/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093796 in molecule.smi (2827/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093795 in molecule.smi (2828/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3093794 in molecule.smi (2829/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL187266 in molecule.smi (2830/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL363535 in molecule.smi (2831/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL227075 in molecule.smi (2832/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3099500 in molecule.smi (2833/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL51085 in molecule.smi (2834/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115026 in molecule.smi (2835/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3112614 in molecule.smi (2836/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115025 in molecule.smi (2837/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115024 in molecule.smi (2838/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115023 in molecule.smi (2839/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115022 in molecule.smi (2840/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115021 in molecule.smi (2841/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115020 in molecule.smi (2842/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115029 in molecule.smi (2843/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115028 in molecule.smi (2844/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115027 in molecule.smi (2845/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115038 in molecule.smi (2846/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115037 in molecule.smi (2847/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115036 in molecule.smi (2848/4695). Average speed: 0.23 s/mol.\n", - "Processing CHEMBL3115035 in molecule.smi (2849/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115034 in molecule.smi (2850/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115033 in molecule.smi (2851/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115032 in molecule.smi (2852/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115031 in molecule.smi (2853/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115030 in molecule.smi (2854/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115198 in molecule.smi (2855/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115197 in molecule.smi (2856/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115196 in molecule.smi (2857/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115048 in molecule.smi (2858/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115046 in molecule.smi (2860/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115047 in molecule.smi (2859/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115045 in molecule.smi (2861/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115044 in molecule.smi (2862/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115043 in molecule.smi (2863/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115042 in molecule.smi (2864/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115041 in molecule.smi (2865/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115040 in molecule.smi (2866/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3115039 in molecule.smi (2867/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116301 in molecule.smi (2868/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116300 in molecule.smi (2869/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116299 in molecule.smi (2870/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116298 in molecule.smi (2871/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116297 in molecule.smi (2872/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116296 in molecule.smi (2873/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116295 in molecule.smi (2874/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116294 in molecule.smi (2875/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116293 in molecule.smi (2876/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116292 in molecule.smi (2877/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116291 in molecule.smi (2878/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116290 in molecule.smi (2879/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116289 in molecule.smi (2880/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1973869 in molecule.smi (2881/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116288 in molecule.smi (2882/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116287 in molecule.smi (2883/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116286 in molecule.smi (2884/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116285 in molecule.smi (2885/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116284 in molecule.smi (2886/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116283 in molecule.smi (2887/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116282 in molecule.smi (2888/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116281 in molecule.smi (2889/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116280 in molecule.smi (2890/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116278 in molecule.smi (2892/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3116279 in molecule.smi (2891/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122169 in molecule.smi (2893/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122167 in molecule.smi (2895/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122168 in molecule.smi (2894/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122150 in molecule.smi (2897/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122166 in molecule.smi (2896/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122148 in molecule.smi (2899/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122149 in molecule.smi (2898/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122147 in molecule.smi (2900/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122145 in molecule.smi (2902/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122146 in molecule.smi (2901/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122172 in molecule.smi (2903/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3120185 in molecule.smi (2904/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122171 in molecule.smi (2905/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3122170 in molecule.smi (2906/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3127003 in molecule.smi (2907/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3126996 in molecule.smi (2908/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3127006 in molecule.smi (2909/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133436 in molecule.smi (2910/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133433 in molecule.smi (2912/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133434 in molecule.smi (2911/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133432 in molecule.smi (2913/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133430 in molecule.smi (2914/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133427 in molecule.smi (2915/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133444 in molecule.smi (2916/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133443 in molecule.smi (2917/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133442 in molecule.smi (2918/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133440 in molecule.smi (2919/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3133439 in molecule.smi (2920/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220507 in molecule.smi (2921/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1325943 in molecule.smi (2922/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220508 in molecule.smi (2923/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220509 in molecule.smi (2924/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220510 in molecule.smi (2925/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220801 in molecule.smi (2927/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220513 in molecule.smi (2926/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220803 in molecule.smi (2929/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220802 in molecule.smi (2928/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220804 in molecule.smi (2930/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220805 in molecule.smi (2931/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220806 in molecule.smi (2932/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220807 in molecule.smi (2933/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3220808 in molecule.smi (2934/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3237628 in molecule.smi (2935/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3237629 in molecule.smi (2936/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3237630 in molecule.smi (2937/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3237631 in molecule.smi (2938/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3237632 in molecule.smi (2939/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3237633 in molecule.smi (2940/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3237634 in molecule.smi (2941/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3237520 in molecule.smi (2942/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1377579 in molecule.smi (2944/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3237527 in molecule.smi (2943/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1344483 in molecule.smi (2945/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233990 in molecule.smi (2946/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233991 in molecule.smi (2947/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233022 in molecule.smi (2948/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233992 in molecule.smi (2949/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1191355 in molecule.smi (2951/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233993 in molecule.smi (2950/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233994 in molecule.smi (2953/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1194868 in molecule.smi (2952/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233995 in molecule.smi (2954/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1190535 in molecule.smi (2956/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1192998 in molecule.smi (2955/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233996 in molecule.smi (2957/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233997 in molecule.smi (2958/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233999 in molecule.smi (2960/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233998 in molecule.smi (2959/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234000 in molecule.smi (2962/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1556015 in molecule.smi (2961/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1611608 in molecule.smi (2963/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL388560 in molecule.smi (2965/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234001 in molecule.smi (2964/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3235503 in molecule.smi (2967/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3235502 in molecule.smi (2966/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2171309 in molecule.smi (2968/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234591 in molecule.smi (2969/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234587 in molecule.smi (2971/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234592 in molecule.smi (2970/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234589 in molecule.smi (2973/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234588 in molecule.smi (2972/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234590 in molecule.smi (2974/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234593 in molecule.smi (2975/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234594 in molecule.smi (2976/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233826 in molecule.smi (2977/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233827 in molecule.smi (2978/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233828 in molecule.smi (2979/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233829 in molecule.smi (2980/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233830 in molecule.smi (2981/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233831 in molecule.smi (2982/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233832 in molecule.smi (2983/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234038 in molecule.smi (2984/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234039 in molecule.smi (2985/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3234040 in molecule.smi (2986/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL418068 in molecule.smi (2987/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2007996 in molecule.smi (2988/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233935 in molecule.smi (2990/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3233934 in molecule.smi (2989/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3261985 in molecule.smi (2992/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3261984 in molecule.smi (2991/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3261987 in molecule.smi (2994/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3261986 in molecule.smi (2993/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3261989 in molecule.smi (2996/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3261988 in molecule.smi (2995/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3261990 in molecule.smi (2997/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3261991 in molecule.smi (2998/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3261992 in molecule.smi (2999/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262658 in molecule.smi (3000/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262661 in molecule.smi (3001/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262662 in molecule.smi (3002/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262663 in molecule.smi (3003/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262664 in molecule.smi (3004/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262665 in molecule.smi (3005/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262666 in molecule.smi (3006/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262668 in molecule.smi (3008/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262667 in molecule.smi (3007/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262670 in molecule.smi (3010/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262669 in molecule.smi (3009/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262671 in molecule.smi (3011/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262673 in molecule.smi (3013/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3262672 in molecule.smi (3012/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263725 in molecule.smi (3015/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL510363 in molecule.smi (3014/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263726 in molecule.smi (3017/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263724 in molecule.smi (3016/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263728 in molecule.smi (3019/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263727 in molecule.smi (3018/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263730 in molecule.smi (3021/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263729 in molecule.smi (3020/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263732 in molecule.smi (3023/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263731 in molecule.smi (3022/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263733 in molecule.smi (3024/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263734 in molecule.smi (3025/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263735 in molecule.smi (3026/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263736 in molecule.smi (3027/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3263737 in molecule.smi (3028/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289924 in molecule.smi (3029/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289925 in molecule.smi (3030/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289926 in molecule.smi (3031/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289927 in molecule.smi (3032/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289928 in molecule.smi (3033/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289929 in molecule.smi (3034/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289931 in molecule.smi (3036/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289930 in molecule.smi (3035/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289932 in molecule.smi (3037/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289933 in molecule.smi (3038/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289934 in molecule.smi (3039/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289936 in molecule.smi (3041/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289935 in molecule.smi (3040/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289938 in molecule.smi (3043/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289937 in molecule.smi (3042/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289939 in molecule.smi (3044/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289941 in molecule.smi (3046/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289940 in molecule.smi (3045/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289942 in molecule.smi (3047/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3289943 in molecule.smi (3048/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290187 in molecule.smi (3049/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290188 in molecule.smi (3050/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290189 in molecule.smi (3051/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290190 in molecule.smi (3052/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290192 in molecule.smi (3054/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290191 in molecule.smi (3053/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290193 in molecule.smi (3055/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290195 in molecule.smi (3057/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290194 in molecule.smi (3056/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3290196 in molecule.smi (3058/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL40275 in molecule.smi (3059/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL385181 in molecule.smi (3060/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL32778 in molecule.smi (3061/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3360486 in molecule.smi (3062/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3360487 in molecule.smi (3063/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3353039 in molecule.smi (3064/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3353040 in molecule.smi (3065/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3353041 in molecule.smi (3066/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3353042 in molecule.smi (3067/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3353566 in molecule.smi (3068/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3353567 in molecule.smi (3069/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3353568 in molecule.smi (3070/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323068 in molecule.smi (3072/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3361270 in molecule.smi (3071/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323065 in molecule.smi (3073/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323062 in molecule.smi (3074/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323059 in molecule.smi (3075/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323056 in molecule.smi (3076/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323053 in molecule.smi (3077/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323051 in molecule.smi (3078/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323049 in molecule.smi (3079/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323046 in molecule.smi (3080/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323043 in molecule.smi (3081/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323042 in molecule.smi (3082/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323039 in molecule.smi (3083/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323036 in molecule.smi (3084/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3323035 in molecule.smi (3085/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322157 in molecule.smi (3086/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322140 in molecule.smi (3087/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322141 in molecule.smi (3088/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322142 in molecule.smi (3089/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322158 in molecule.smi (3090/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322159 in molecule.smi (3091/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322160 in molecule.smi (3092/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322161 in molecule.smi (3093/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322162 in molecule.smi (3094/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322155 in molecule.smi (3095/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322156 in molecule.smi (3096/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3313966 in molecule.smi (3097/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1134 in molecule.smi (3098/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322231 in molecule.smi (3100/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1196204 in molecule.smi (3099/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322233 in molecule.smi (3102/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322234 in molecule.smi (3101/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3322232 in molecule.smi (3103/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL278020 in molecule.smi (3104/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3310703 in molecule.smi (3105/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3360758 in molecule.smi (3106/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3310705 in molecule.smi (3107/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3360757 in molecule.smi (3109/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3310704 in molecule.smi (3108/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3310697 in molecule.smi (3111/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3310706 in molecule.smi (3110/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3318018 in molecule.smi (3113/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3310699 in molecule.smi (3112/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2391486 in molecule.smi (3115/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3318017 in molecule.smi (3114/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL276473 in molecule.smi (3116/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2158994 in molecule.smi (3117/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338992 in molecule.smi (3119/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338991 in molecule.smi (3118/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338994 in molecule.smi (3121/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338993 in molecule.smi (3120/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338995 in molecule.smi (3123/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3337471 in molecule.smi (3122/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338997 in molecule.smi (3125/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338996 in molecule.smi (3124/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338998 in molecule.smi (3126/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338999 in molecule.smi (3127/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3339000 in molecule.smi (3128/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3339001 in molecule.smi (3129/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3339002 in molecule.smi (3130/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3339003 in molecule.smi (3131/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3339004 in molecule.smi (3132/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3339005 in molecule.smi (3133/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3339006 in molecule.smi (3134/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3339007 in molecule.smi (3135/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3339008 in molecule.smi (3136/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3355581 in molecule.smi (3137/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3355580 in molecule.smi (3138/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3355579 in molecule.smi (3139/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL151763 in molecule.smi (3140/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335072 in molecule.smi (3141/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335071 in molecule.smi (3142/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335070 in molecule.smi (3143/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3334506 in molecule.smi (3144/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335068 in molecule.smi (3146/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335069 in molecule.smi (3145/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335066 in molecule.smi (3148/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335067 in molecule.smi (3147/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335064 in molecule.smi (3150/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335065 in molecule.smi (3149/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335062 in molecule.smi (3152/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335063 in molecule.smi (3151/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335061 in molecule.smi (3153/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335060 in molecule.smi (3154/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335059 in molecule.smi (3155/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335058 in molecule.smi (3156/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335057 in molecule.smi (3157/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335056 in molecule.smi (3158/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335055 in molecule.smi (3159/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335054 in molecule.smi (3160/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335053 in molecule.smi (3161/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335052 in molecule.smi (3162/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335051 in molecule.smi (3163/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335050 in molecule.smi (3164/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335049 in molecule.smi (3165/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335048 in molecule.smi (3166/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335047 in molecule.smi (3167/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335046 in molecule.smi (3168/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335032 in molecule.smi (3169/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335031 in molecule.smi (3170/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335030 in molecule.smi (3171/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335029 in molecule.smi (3172/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335028 in molecule.smi (3173/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335027 in molecule.smi (3174/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335026 in molecule.smi (3175/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335025 in molecule.smi (3176/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335024 in molecule.smi (3177/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335023 in molecule.smi (3178/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335022 in molecule.smi (3179/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335021 in molecule.smi (3180/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335020 in molecule.smi (3181/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335019 in molecule.smi (3182/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335017 in molecule.smi (3184/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3335018 in molecule.smi (3183/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343708 in molecule.smi (3186/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343705 in molecule.smi (3185/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343712 in molecule.smi (3188/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343711 in molecule.smi (3187/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343714 in molecule.smi (3190/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343713 in molecule.smi (3189/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3355594 in molecule.smi (3191/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338389 in molecule.smi (3192/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338388 in molecule.smi (3193/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338387 in molecule.smi (3194/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3338386 in molecule.smi (3195/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343884 in molecule.smi (3196/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343885 in molecule.smi (3197/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343920 in molecule.smi (3198/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343922 in molecule.smi (3199/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343882 in molecule.smi (3200/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343923 in molecule.smi (3201/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343925 in molecule.smi (3203/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343924 in molecule.smi (3202/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343927 in molecule.smi (3205/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343926 in molecule.smi (3204/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343929 in molecule.smi (3207/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343928 in molecule.smi (3206/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343931 in molecule.smi (3209/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343930 in molecule.smi (3208/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356528 in molecule.smi (3211/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3343932 in molecule.smi (3210/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356529 in molecule.smi (3212/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356531 in molecule.smi (3214/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356530 in molecule.smi (3213/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356533 in molecule.smi (3216/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356532 in molecule.smi (3215/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356535 in molecule.smi (3218/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356534 in molecule.smi (3217/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356537 in molecule.smi (3220/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356536 in molecule.smi (3219/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356539 in molecule.smi (3222/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356538 in molecule.smi (3221/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356950 in molecule.smi (3224/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356540 in molecule.smi (3223/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356951 in molecule.smi (3225/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356953 in molecule.smi (3227/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356952 in molecule.smi (3226/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3356954 in molecule.smi (3228/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3393675 in molecule.smi (3229/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3393674 in molecule.smi (3230/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3393673 in molecule.smi (3231/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403878 in molecule.smi (3232/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403877 in molecule.smi (3233/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3400187 in molecule.smi (3234/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403874 in molecule.smi (3235/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402707 in molecule.smi (3236/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402708 in molecule.smi (3237/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402709 in molecule.smi (3238/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402710 in molecule.smi (3239/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402712 in molecule.smi (3240/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402713 in molecule.smi (3241/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402714 in molecule.smi (3242/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402715 in molecule.smi (3243/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402717 in molecule.smi (3244/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402718 in molecule.smi (3245/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402719 in molecule.smi (3246/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3402720 in molecule.smi (3247/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403305 in molecule.smi (3248/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403307 in molecule.smi (3250/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403306 in molecule.smi (3249/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403309 in molecule.smi (3252/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403308 in molecule.smi (3251/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403311 in molecule.smi (3254/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403310 in molecule.smi (3253/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403312 in molecule.smi (3255/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403314 in molecule.smi (3257/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403313 in molecule.smi (3256/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403315 in molecule.smi (3258/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3403316 in molecule.smi (3259/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3407587 in molecule.smi (3260/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3407586 in molecule.smi (3261/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3407585 in molecule.smi (3262/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3407584 in molecule.smi (3263/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3407583 in molecule.smi (3264/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3407582 in molecule.smi (3265/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3407581 in molecule.smi (3266/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3407591 in molecule.smi (3267/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3410957 in molecule.smi (3268/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3410956 in molecule.smi (3269/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3410955 in molecule.smi (3270/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3410954 in molecule.smi (3271/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3410953 in molecule.smi (3272/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3410952 in molecule.smi (3273/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3410951 in molecule.smi (3274/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417009 in molecule.smi (3275/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL85251 in molecule.smi (3276/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3414597 in molecule.smi (3277/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3416996 in molecule.smi (3279/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3416995 in molecule.smi (3278/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3416998 in molecule.smi (3281/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3416997 in molecule.smi (3280/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417000 in molecule.smi (3283/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3416999 in molecule.smi (3282/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417002 in molecule.smi (3285/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417001 in molecule.smi (3284/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417004 in molecule.smi (3287/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417003 in molecule.smi (3286/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417006 in molecule.smi (3288/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417008 in molecule.smi (3289/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415643 in molecule.smi (3290/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415558 in molecule.smi (3291/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415559 in molecule.smi (3292/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415560 in molecule.smi (3293/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415563 in molecule.smi (3295/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415561 in molecule.smi (3294/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415564 in molecule.smi (3296/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415566 in molecule.smi (3298/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415565 in molecule.smi (3297/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415568 in molecule.smi (3299/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415570 in molecule.smi (3301/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415569 in molecule.smi (3300/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415573 in molecule.smi (3302/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415574 in molecule.smi (3303/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415575 in molecule.smi (3304/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415576 in molecule.smi (3305/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415578 in molecule.smi (3306/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415579 in molecule.smi (3307/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415580 in molecule.smi (3308/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3415581 in molecule.smi (3309/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417300 in molecule.smi (3310/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3417299 in molecule.smi (3311/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3577505 in molecule.smi (3312/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3577508 in molecule.smi (3313/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3577509 in molecule.smi (3314/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3577510 in molecule.smi (3315/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3577511 in molecule.smi (3316/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3577517 in molecule.smi (3317/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3577520 in molecule.smi (3318/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3577522 in molecule.smi (3319/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3359895 in molecule.smi (3321/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3577524 in molecule.smi (3320/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582200 in molecule.smi (3322/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582202 in molecule.smi (3324/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582201 in molecule.smi (3323/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582204 in molecule.smi (3326/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582203 in molecule.smi (3325/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582206 in molecule.smi (3328/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582205 in molecule.smi (3327/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582208 in molecule.smi (3330/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582207 in molecule.smi (3329/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582210 in molecule.smi (3332/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582209 in molecule.smi (3331/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582212 in molecule.smi (3334/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582211 in molecule.smi (3333/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582213 in molecule.smi (3335/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582214 in molecule.smi (3336/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582215 in molecule.smi (3337/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582218 in molecule.smi (3339/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582216 in molecule.smi (3338/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582224 in molecule.smi (3341/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582223 in molecule.smi (3340/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582226 in molecule.smi (3343/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582225 in molecule.smi (3342/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582228 in molecule.smi (3345/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582227 in molecule.smi (3344/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582230 in molecule.smi (3347/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582229 in molecule.smi (3346/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582231 in molecule.smi (3348/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3582232 in molecule.smi (3349/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3581580 in molecule.smi (3350/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3581576 in molecule.smi (3351/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3581573 in molecule.smi (3352/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3581572 in molecule.smi (3353/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3585374 in molecule.smi (3354/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586574 in molecule.smi (3356/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3585375 in molecule.smi (3355/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586576 in molecule.smi (3357/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586577 in molecule.smi (3358/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586582 in molecule.smi (3359/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586583 in molecule.smi (3360/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586592 in molecule.smi (3361/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586593 in molecule.smi (3362/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586594 in molecule.smi (3363/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586595 in molecule.smi (3364/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586600 in molecule.smi (3365/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586602 in molecule.smi (3366/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586604 in molecule.smi (3367/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586605 in molecule.smi (3368/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586608 in molecule.smi (3369/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586610 in molecule.smi (3370/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586614 in molecule.smi (3371/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586196 in molecule.smi (3372/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586197 in molecule.smi (3373/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586198 in molecule.smi (3374/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586199 in molecule.smi (3375/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586201 in molecule.smi (3377/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586200 in molecule.smi (3376/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586202 in molecule.smi (3378/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL506258 in molecule.smi (3380/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586203 in molecule.smi (3379/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586205 in molecule.smi (3382/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3586204 in molecule.smi (3381/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3586206 in molecule.smi (3383/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3586207 in molecule.smi (3384/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL295124 in molecule.smi (3385/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585777 in molecule.smi (3386/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585776 in molecule.smi (3387/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585775 in molecule.smi (3388/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585778 in molecule.smi (3389/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585779 in molecule.smi (3390/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585780 in molecule.smi (3391/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585781 in molecule.smi (3392/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585782 in molecule.smi (3393/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585783 in molecule.smi (3394/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3585784 in molecule.smi (3395/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597939 in molecule.smi (3396/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597941 in molecule.smi (3397/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597942 in molecule.smi (3398/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597946 in molecule.smi (3400/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597944 in molecule.smi (3399/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597948 in molecule.smi (3401/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597548 in molecule.smi (3403/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597556 in molecule.smi (3402/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597068 in molecule.smi (3404/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597067 in molecule.smi (3405/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597064 in molecule.smi (3407/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3597065 in molecule.smi (3406/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597063 in molecule.smi (3408/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597062 in molecule.smi (3409/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597061 in molecule.smi (3410/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597060 in molecule.smi (3411/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597059 in molecule.smi (3412/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597058 in molecule.smi (3413/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597057 in molecule.smi (3414/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597056 in molecule.smi (3415/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597055 in molecule.smi (3416/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597054 in molecule.smi (3417/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597010 in molecule.smi (3418/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597009 in molecule.smi (3419/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597008 in molecule.smi (3420/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597007 in molecule.smi (3421/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597005 in molecule.smi (3423/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597006 in molecule.smi (3422/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597003 in molecule.smi (3425/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597004 in molecule.smi (3424/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597001 in molecule.smi (3427/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597002 in molecule.smi (3426/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3600551 in molecule.smi (3429/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3597000 in molecule.smi (3428/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3600553 in molecule.smi (3431/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3600552 in molecule.smi (3430/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3600554 in molecule.smi (3432/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3600555 in molecule.smi (3433/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3600556 in molecule.smi (3434/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605437 in molecule.smi (3435/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605436 in molecule.smi (3436/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605434 in molecule.smi (3437/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605433 in molecule.smi (3438/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605432 in molecule.smi (3439/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605431 in molecule.smi (3440/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605430 in molecule.smi (3441/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605428 in molecule.smi (3442/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605426 in molecule.smi (3443/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605425 in molecule.smi (3444/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605424 in molecule.smi (3445/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605423 in molecule.smi (3446/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605422 in molecule.smi (3447/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605419 in molecule.smi (3448/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605418 in molecule.smi (3449/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605316 in molecule.smi (3450/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605314 in molecule.smi (3451/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605313 in molecule.smi (3452/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605310 in molecule.smi (3453/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605309 in molecule.smi (3454/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3605308 in molecule.smi (3455/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3604192 in molecule.smi (3456/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3604193 in molecule.smi (3457/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3604194 in molecule.smi (3458/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3604195 in molecule.smi (3459/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3604196 in molecule.smi (3460/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3604197 in molecule.smi (3461/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3604198 in molecule.smi (3462/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3604199 in molecule.smi (3463/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3621335 in molecule.smi (3464/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3621334 in molecule.smi (3465/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3621333 in molecule.smi (3466/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3621332 in molecule.smi (3467/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623558 in molecule.smi (3469/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3621322 in molecule.smi (3468/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623557 in molecule.smi (3470/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623556 in molecule.smi (3471/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623555 in molecule.smi (3472/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623554 in molecule.smi (3473/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623553 in molecule.smi (3474/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623552 in molecule.smi (3475/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623551 in molecule.smi (3476/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623550 in molecule.smi (3477/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623549 in molecule.smi (3478/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623548 in molecule.smi (3479/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL89354 in molecule.smi (3480/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3137700 in molecule.smi (3481/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL167911 in molecule.smi (3482/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL446060 in molecule.smi (3483/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623563 in molecule.smi (3484/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623562 in molecule.smi (3485/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623561 in molecule.smi (3486/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623560 in molecule.smi (3487/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623559 in molecule.smi (3488/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623567 in molecule.smi (3489/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623566 in molecule.smi (3490/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623565 in molecule.smi (3491/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3623564 in molecule.smi (3492/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628053 in molecule.smi (3493/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628054 in molecule.smi (3494/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628055 in molecule.smi (3495/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628056 in molecule.smi (3496/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628057 in molecule.smi (3497/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628058 in molecule.smi (3498/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628059 in molecule.smi (3499/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628061 in molecule.smi (3501/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628060 in molecule.smi (3500/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628063 in molecule.smi (3503/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628062 in molecule.smi (3502/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628065 in molecule.smi (3505/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628064 in molecule.smi (3504/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628067 in molecule.smi (3507/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628066 in molecule.smi (3506/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628183 in molecule.smi (3508/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628184 in molecule.smi (3509/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628185 in molecule.smi (3510/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3628186 in molecule.smi (3511/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632858 in molecule.smi (3512/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632857 in molecule.smi (3513/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632856 in molecule.smi (3514/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632855 in molecule.smi (3515/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632853 in molecule.smi (3517/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632854 in molecule.smi (3516/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632846 in molecule.smi (3519/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632852 in molecule.smi (3518/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632847 in molecule.smi (3520/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632626 in molecule.smi (3521/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632848 in molecule.smi (3522/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632849 in molecule.smi (3523/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632850 in molecule.smi (3524/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632851 in molecule.smi (3525/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632987 in molecule.smi (3526/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632988 in molecule.smi (3527/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632989 in molecule.smi (3528/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632991 in molecule.smi (3530/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632990 in molecule.smi (3529/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632992 in molecule.smi (3531/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632993 in molecule.smi (3532/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL153 in molecule.smi (3534/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3632994 in molecule.smi (3533/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642057 in molecule.smi (3535/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642053 in molecule.smi (3537/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642042 in molecule.smi (3536/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642043 in molecule.smi (3538/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642045 in molecule.smi (3539/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642054 in molecule.smi (3540/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642047 in molecule.smi (3541/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642049 in molecule.smi (3542/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642041 in molecule.smi (3543/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642046 in molecule.smi (3544/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642050 in molecule.smi (3545/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642052 in molecule.smi (3546/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642055 in molecule.smi (3547/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642044 in molecule.smi (3548/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642051 in molecule.smi (3549/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642040 in molecule.smi (3550/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642048 in molecule.smi (3551/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3642056 in molecule.smi (3552/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3736339 in molecule.smi (3553/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3735606 in molecule.smi (3554/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3734787 in molecule.smi (3555/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3735042 in molecule.smi (3556/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL2179375 in molecule.smi (3557/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3401159 in molecule.smi (3558/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752974 in molecule.smi (3559/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752232 in molecule.smi (3560/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754631 in molecule.smi (3561/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754448 in molecule.smi (3562/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752908 in molecule.smi (3563/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754585 in molecule.smi (3564/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754622 in molecule.smi (3565/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752710 in molecule.smi (3566/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL189886 in molecule.smi (3567/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754480 in molecule.smi (3568/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754739 in molecule.smi (3569/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754146 in molecule.smi (3571/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752926 in molecule.smi (3570/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752356 in molecule.smi (3573/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3751941 in molecule.smi (3572/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752543 in molecule.smi (3575/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752969 in molecule.smi (3574/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3753405 in molecule.smi (3577/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752467 in molecule.smi (3576/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754694 in molecule.smi (3579/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754341 in molecule.smi (3578/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754778 in molecule.smi (3581/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3753957 in molecule.smi (3580/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3753360 in molecule.smi (3583/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752384 in molecule.smi (3582/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754005 in molecule.smi (3585/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754672 in molecule.smi (3584/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3751866 in molecule.smi (3587/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752685 in molecule.smi (3586/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3754291 in molecule.smi (3588/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3753850 in molecule.smi (3590/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752119 in molecule.smi (3589/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3753706 in molecule.smi (3592/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3753508 in molecule.smi (3591/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752555 in molecule.smi (3594/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752451 in molecule.smi (3593/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3752227 in molecule.smi (3595/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3758282 in molecule.smi (3597/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3759090 in molecule.smi (3596/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL395280 in molecule.smi (3599/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3759013 in molecule.smi (3598/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764433 in molecule.smi (3600/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764714 in molecule.smi (3602/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764900 in molecule.smi (3601/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764065 in molecule.smi (3604/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763417 in molecule.smi (3603/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764488 in molecule.smi (3605/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3765098 in molecule.smi (3607/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763832 in molecule.smi (3606/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763973 in molecule.smi (3608/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764376 in molecule.smi (3610/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763232 in molecule.smi (3609/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3765476 in molecule.smi (3612/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763609 in molecule.smi (3611/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763820 in molecule.smi (3613/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3765697 in molecule.smi (3614/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763482 in molecule.smi (3616/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3765569 in molecule.smi (3615/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3765093 in molecule.smi (3617/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764100 in molecule.smi (3618/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3765496 in molecule.smi (3620/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764679 in molecule.smi (3619/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763778 in molecule.smi (3621/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763203 in molecule.smi (3622/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764305 in molecule.smi (3624/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3765162 in molecule.smi (3623/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764609 in molecule.smi (3626/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3765293 in molecule.smi (3625/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3763535 in molecule.smi (3628/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764762 in molecule.smi (3627/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3769555 in molecule.smi (3630/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3764211 in molecule.smi (3629/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770203 in molecule.smi (3632/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3769537 in molecule.smi (3631/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770803 in molecule.smi (3634/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770577 in molecule.smi (3633/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3769862 in molecule.smi (3636/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770479 in molecule.smi (3635/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3769833 in molecule.smi (3638/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770978 in molecule.smi (3637/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3769576 in molecule.smi (3639/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3769811 in molecule.smi (3641/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3771233 in molecule.smi (3640/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3769834 in molecule.smi (3643/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770569 in molecule.smi (3642/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770071 in molecule.smi (3644/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770206 in molecule.smi (3645/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1801816 in molecule.smi (3646/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770866 in molecule.smi (3647/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770516 in molecule.smi (3648/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1801815 in molecule.smi (3649/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1411769 in molecule.smi (3650/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3770356 in molecule.smi (3651/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1327885 in molecule.smi (3652/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL239618 in molecule.smi (3653/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL240047 in molecule.smi (3654/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL394753 in molecule.smi (3655/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL239400 in molecule.smi (3656/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL828 in molecule.smi (3657/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3781564 in molecule.smi (3658/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3780448 in molecule.smi (3659/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3780131 in molecule.smi (3660/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3787116 in molecule.smi (3661/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785861 in molecule.smi (3662/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786544 in molecule.smi (3663/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3787307 in molecule.smi (3664/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786666 in molecule.smi (3665/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785481 in molecule.smi (3666/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786655 in molecule.smi (3667/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785526 in molecule.smi (3668/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786843 in molecule.smi (3669/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786447 in molecule.smi (3670/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3787666 in molecule.smi (3671/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785229 in molecule.smi (3672/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785187 in molecule.smi (3673/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785803 in molecule.smi (3674/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786323 in molecule.smi (3675/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786505 in molecule.smi (3677/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786589 in molecule.smi (3676/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785808 in molecule.smi (3679/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785644 in molecule.smi (3678/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786651 in molecule.smi (3680/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3787502 in molecule.smi (3682/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786516 in molecule.smi (3681/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3787223 in molecule.smi (3684/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785269 in molecule.smi (3683/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786937 in molecule.smi (3686/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786448 in molecule.smi (3685/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785391 in molecule.smi (3687/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3785207 in molecule.smi (3688/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786873 in molecule.smi (3689/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786442 in molecule.smi (3690/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3786719 in molecule.smi (3691/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3809337 in molecule.smi (3692/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1929043 in molecule.smi (3693/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL355160 in molecule.smi (3694/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818415 in molecule.smi (3695/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819155 in molecule.smi (3696/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818230 in molecule.smi (3697/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818616 in molecule.smi (3698/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819646 in molecule.smi (3699/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL168938 in molecule.smi (3700/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819220 in molecule.smi (3701/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818167 in molecule.smi (3702/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818801 in molecule.smi (3704/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818084 in molecule.smi (3703/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819113 in molecule.smi (3706/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819531 in molecule.smi (3705/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819574 in molecule.smi (3707/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819247 in molecule.smi (3708/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818918 in molecule.smi (3709/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819024 in molecule.smi (3710/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818374 in molecule.smi (3711/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL524100 in molecule.smi (3712/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL489354 in molecule.smi (3713/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1254269 in molecule.smi (3714/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819036 in molecule.smi (3715/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL535 in molecule.smi (3716/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL477772 in molecule.smi (3717/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818089 in molecule.smi (3718/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818086 in molecule.smi (3719/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819231 in molecule.smi (3720/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819320 in molecule.smi (3721/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818992 in molecule.smi (3722/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3817981 in molecule.smi (3723/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819548 in molecule.smi (3724/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818689 in molecule.smi (3726/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819383 in molecule.smi (3725/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3819083 in molecule.smi (3728/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818512 in molecule.smi (3727/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818990 in molecule.smi (3730/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818332 in molecule.smi (3729/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818250 in molecule.smi (3732/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3818782 in molecule.smi (3731/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3824239 in molecule.smi (3734/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3822559 in molecule.smi (3733/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3823464 in molecule.smi (3736/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3823317 in molecule.smi (3735/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3822670 in molecule.smi (3738/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3823538 in molecule.smi (3737/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3824057 in molecule.smi (3740/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3822790 in molecule.smi (3739/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3822890 in molecule.smi (3742/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3824362 in molecule.smi (3741/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3823197 in molecule.smi (3744/4695). 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Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827449 in molecule.smi (3756/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827347 in molecule.smi (3755/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3828273 in molecule.smi (3757/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3828739 in molecule.smi (3758/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3828644 in molecule.smi (3759/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827856 in molecule.smi (3760/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827058 in molecule.smi (3761/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827189 in molecule.smi (3762/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL440526 in molecule.smi (3763/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827288 in molecule.smi (3764/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827432 in molecule.smi (3765/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3828293 in molecule.smi (3766/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3828693 in molecule.smi (3767/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827610 in molecule.smi (3768/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827044 in molecule.smi (3769/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3828054 in molecule.smi (3770/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827220 in molecule.smi (3771/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3828696 in molecule.smi (3772/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827284 in molecule.smi (3773/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3827950 in molecule.smi (3774/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3826998 in molecule.smi (3776/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3828281 in molecule.smi (3775/4695). 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Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3981946 in molecule.smi (3886/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3972317 in molecule.smi (3889/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3928459 in molecule.smi (3888/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3941497 in molecule.smi (3891/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3949770 in molecule.smi (3890/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3922471 in molecule.smi (3892/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3937974 in molecule.smi (3893/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3910033 in molecule.smi (3894/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3900977 in molecule.smi (3895/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3895528 in molecule.smi (3896/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3891315 in molecule.smi (3897/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3986650 in molecule.smi (3898/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3944088 in molecule.smi (3899/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3919972 in molecule.smi (3900/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3938676 in molecule.smi (3901/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3896153 in molecule.smi (3903/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3968230 in molecule.smi (3902/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3981703 in molecule.smi (3905/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3920662 in molecule.smi (3904/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4088116 in molecule.smi (3907/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3911730 in molecule.smi (3906/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4093408 in molecule.smi (3908/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4085671 in molecule.smi (3910/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4065799 in molecule.smi (3909/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4103604 in molecule.smi (3911/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4063045 in molecule.smi (3912/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4084714 in molecule.smi (3913/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4086323 in molecule.smi (3914/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4064846 in molecule.smi (3915/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4078463 in molecule.smi (3916/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4067562 in molecule.smi (3918/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4102718 in molecule.smi (3917/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4105158 in molecule.smi (3920/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4094981 in molecule.smi (3919/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4087300 in molecule.smi (3921/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4072405 in molecule.smi (3922/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099340 in molecule.smi (3923/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4087978 in molecule.smi (3924/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4059684 in molecule.smi (3925/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4095695 in molecule.smi (3926/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4068340 in molecule.smi (3927/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4069385 in molecule.smi (3928/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4090413 in molecule.smi (3929/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4080105 in molecule.smi (3930/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4098132 in molecule.smi (3931/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4074258 in molecule.smi (3932/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4094761 in molecule.smi (3933/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4075021 in molecule.smi (3934/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4085283 in molecule.smi (3936/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4101703 in molecule.smi (3935/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4093019 in molecule.smi (3938/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4063663 in molecule.smi (3937/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4100736 in molecule.smi (3940/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4072258 in molecule.smi (3939/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4062593 in molecule.smi (3942/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4082739 in molecule.smi (3941/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4090559 in molecule.smi (3943/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4085738 in molecule.smi (3945/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4103664 in molecule.smi (3944/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4104551 in molecule.smi (3947/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4095908 in molecule.smi (3946/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4089082 in molecule.smi (3949/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4067497 in molecule.smi (3948/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4090583 in molecule.smi (3950/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4075571 in molecule.smi (3951/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4100760 in molecule.smi (3953/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4094805 in molecule.smi (3952/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4081805 in molecule.smi (3955/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4059887 in molecule.smi (3954/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4102562 in molecule.smi (3957/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4098196 in molecule.smi (3956/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4072914 in molecule.smi (3958/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4069184 in molecule.smi (3959/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4060687 in molecule.smi (3960/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4081013 in molecule.smi (3961/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099046 in molecule.smi (3962/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4070380 in molecule.smi (3963/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4091317 in molecule.smi (3964/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4061746 in molecule.smi (3965/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4097374 in molecule.smi (3967/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4083524 in molecule.smi (3966/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4105088 in molecule.smi (3969/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4079345 in molecule.smi (3968/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4067481 in molecule.smi (3971/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3262251 in molecule.smi (3970/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4078382 in molecule.smi (3973/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4094911 in molecule.smi (3972/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4086248 in molecule.smi (3975/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4102655 in molecule.smi (3974/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4064773 in molecule.smi (3976/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4061837 in molecule.smi (3977/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4083601 in molecule.smi (3978/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4070462 in molecule.smi (3979/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4091385 in molecule.smi (3980/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4100046 in molecule.smi (3981/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4096673 in molecule.smi (3983/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4073193 in molecule.smi (3982/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4060016 in molecule.smi (3985/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4069444 in molecule.smi (3984/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4085114 in molecule.smi (3986/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4098421 in molecule.smi (3987/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4077088 in molecule.smi (3988/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099790 in molecule.smi (3989/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1626455 in molecule.smi (3990/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4095445 in molecule.smi (3991/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL2337271 in molecule.smi (3992/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL215645 in molecule.smi (3993/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4060617 in molecule.smi (3994/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4081795 in molecule.smi (3995/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4066309 in molecule.smi (3996/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4093419 in molecule.smi (3997/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4083174 in molecule.smi (3998/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL521589 in molecule.smi (3999/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4096024 in molecule.smi (4000/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4098455 in molecule.smi (4001/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099598 in molecule.smi (4002/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4062146 in molecule.smi (4003/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4083875 in molecule.smi (4004/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4070769 in molecule.smi (4005/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4091651 in molecule.smi (4006/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4092602 in molecule.smi (4007/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4064904 in molecule.smi (4008/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4100338 in molecule.smi (4009/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4073501 in molecule.smi (4010/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4074566 in molecule.smi (4011/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4095032 in molecule.smi (4012/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4060800 in molecule.smi (4013/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4085222 in molecule.smi (4014/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4092048 in molecule.smi (4015/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4061527 in molecule.smi (4016/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4081776 in molecule.smi (4017/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4105085 in molecule.smi (4019/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099794 in molecule.smi (4018/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4083445 in molecule.smi (4020/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4093567 in molecule.smi (4021/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4072865 in molecule.smi (4022/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4101303 in molecule.smi (4023/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4076930 in molecule.smi (4024/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4095535 in molecule.smi (4025/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4068149 in molecule.smi (4026/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4092123 in molecule.smi (4027/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4064413 in molecule.smi (4028/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099873 in molecule.smi (4029/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4074062 in molecule.smi (4031/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4072999 in molecule.smi (4030/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4094591 in molecule.smi (4032/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4084371 in molecule.smi (4033/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4102333 in molecule.smi (4034/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4066548 in molecule.smi (4035/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4094081 in molecule.smi (4036/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4081915 in molecule.smi (4037/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4071377 in molecule.smi (4039/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4060011 in molecule.smi (4038/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4098418 in molecule.smi (4040/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4077952 in molecule.smi (4042/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4083306 in molecule.smi (4041/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4070182 in molecule.smi (4044/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4076034 in molecule.smi (4043/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4091851 in molecule.smi (4045/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4075061 in molecule.smi (4046/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4066365 in molecule.smi (4047/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4093928 in molecule.smi (4048/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4097266 in molecule.smi (4049/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4072457 in molecule.smi (4050/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL23838 in molecule.smi (4051/4695). 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Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4079853 in molecule.smi (4062/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4071803 in molecule.smi (4065/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4098808 in molecule.smi (4064/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4082785 in molecule.smi (4067/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4085482 in molecule.smi (4066/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4101886 in molecule.smi (4069/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4072478 in molecule.smi (4068/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4068410 in molecule.smi (4070/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4090842 in molecule.smi (4072/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4095755 in molecule.smi (4071/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4069847 in molecule.smi (4073/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4091748 in molecule.smi (4075/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4063984 in molecule.smi (4074/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4072579 in molecule.smi (4076/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4068829 in molecule.smi (4078/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099486 in molecule.smi (4077/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4096126 in molecule.smi (4079/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4081509 in molecule.smi (4081/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4059560 in molecule.smi (4080/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4098703 in molecule.smi (4082/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4095035 in molecule.smi (4084/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4076580 in molecule.smi (4083/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4073287 in molecule.smi (4085/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099391 in molecule.smi (4086/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4084842 in molecule.smi (4087/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4076986 in molecule.smi (4088/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4063583 in molecule.smi (4089/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4082048 in molecule.smi (4090/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4083039 in molecule.smi (4091/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4101018 in molecule.smi (4092/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4070471 in molecule.smi (4093/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1340607 in molecule.smi (4094/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4081932 in molecule.smi (4096/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1482486 in molecule.smi (4095/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4071394 in molecule.smi (4098/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099934 in molecule.smi (4097/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1543212 in molecule.smi (4100/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4092186 in molecule.smi (4099/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4095547 in molecule.smi (4102/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1416246 in molecule.smi (4101/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4087841 in molecule.smi (4104/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4075136 in molecule.smi (4103/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4079963 in molecule.smi (4106/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1301463 in molecule.smi (4105/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4092142 in molecule.smi (4108/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4104206 in molecule.smi (4107/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4064806 in molecule.smi (4110/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL179218 in molecule.smi (4109/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4073401 in molecule.smi (4112/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4100253 in molecule.smi (4111/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL14577 in molecule.smi (4114/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1311140 in molecule.smi (4113/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4068713 in molecule.smi (4116/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL451635 in molecule.smi (4115/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4060058 in molecule.smi (4118/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4088294 in molecule.smi (4117/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4104406 in molecule.smi (4120/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4080917 in molecule.smi (4119/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4100057 in molecule.smi (4122/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4062826 in molecule.smi (4121/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4100639 in molecule.smi (4124/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4073838 in molecule.smi (4123/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4092905 in molecule.smi (4126/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4065242 in molecule.smi (4125/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4076907 in molecule.smi (4128/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4091945 in molecule.smi (4127/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4062487 in molecule.smi (4130/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4084189 in molecule.smi (4129/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4061404 in molecule.smi (4131/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4102122 in molecule.smi (4133/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4089550 in molecule.smi (4132/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4064154 in molecule.smi (4135/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4077866 in molecule.smi (4134/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4086639 in molecule.smi (4137/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4085722 in molecule.smi (4136/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4094380 in molecule.smi (4139/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4104534 in molecule.smi (4138/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4091001 in molecule.smi (4141/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4066891 in molecule.smi (4140/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4064304 in molecule.smi (4143/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4063109 in molecule.smi (4142/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4080800 in molecule.smi (4144/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4090498 in molecule.smi (4146/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4094837 in molecule.smi (4145/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4104952 in molecule.smi (4148/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4069472 in molecule.smi (4147/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4097249 in molecule.smi (4150/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4080726 in molecule.smi (4149/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4078265 in molecule.smi (4152/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4070057 in molecule.smi (4151/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4067342 in molecule.smi (4154/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4096311 in molecule.smi (4153/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4071110 in molecule.smi (4156/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4088594 in molecule.smi (4155/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4070092 in molecule.smi (4158/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4091935 in molecule.smi (4157/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4077169 in molecule.smi (4159/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4075825 in molecule.smi (4161/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4065259 in molecule.smi (4160/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4088659 in molecule.smi (4163/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4075624 in molecule.smi (4162/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4063635 in molecule.smi (4165/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4074993 in molecule.smi (4164/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4083288 in molecule.smi (4166/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4075667 in molecule.smi (4168/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4066908 in molecule.smi (4167/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4069776 in molecule.smi (4170/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4091683 in molecule.smi (4169/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4089264 in molecule.smi (4172/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4096963 in molecule.smi (4171/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3425895 in molecule.smi (4174/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL887 in molecule.smi (4173/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3425894 in molecule.smi (4175/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3425892 in molecule.smi (4177/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3425893 in molecule.smi (4176/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1303143 in molecule.smi (4179/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3425889 in molecule.smi (4178/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3425891 in molecule.smi (4181/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3425881 in molecule.smi (4180/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3425885 in molecule.smi (4183/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL3425890 in molecule.smi (4182/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4061433 in molecule.smi (4185/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1242180 in molecule.smi (4184/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4070093 in molecule.smi (4187/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4097284 in molecule.smi (4186/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4066392 in molecule.smi (4189/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4093946 in molecule.smi (4188/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4104589 in molecule.smi (4191/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4080358 in molecule.smi (4190/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL597863 in molecule.smi (4192/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4096862 in molecule.smi (4193/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4060972 in molecule.smi (4194/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4089155 in molecule.smi (4195/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4099308 in molecule.smi (4196/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4086152 in molecule.smi (4197/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4065910 in molecule.smi (4198/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4093514 in molecule.smi (4199/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4086383 in molecule.smi (4200/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4064920 in molecule.smi (4201/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4078528 in molecule.smi (4202/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4102810 in molecule.smi (4203/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4067639 in molecule.smi (4204/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4095051 in molecule.smi (4205/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4105221 in molecule.smi (4206/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4087364 in molecule.smi (4207/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4072484 in molecule.smi (4208/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4099404 in molecule.smi (4209/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4065374 in molecule.smi (4210/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4086807 in molecule.smi (4211/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL140 in molecule.smi (4212/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL165 in molecule.smi (4213/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4079599 in molecule.smi (4215/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3425908 in molecule.smi (4214/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4071149 in molecule.smi (4216/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4094833 in molecule.smi (4217/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4067388 in molecule.smi (4218/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4102571 in molecule.smi (4219/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4078305 in molecule.smi (4220/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4064686 in molecule.smi (4221/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4086191 in molecule.smi (4222/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4073273 in molecule.smi (4223/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4093947 in molecule.smi (4224/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4059766 in molecule.smi (4225/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4081699 in molecule.smi (4226/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4076207 in molecule.smi (4227/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4080691 in molecule.smi (4228/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4098654 in molecule.smi (4229/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4068935 in molecule.smi (4230/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4100298 in molecule.smi (4231/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4100407 in molecule.smi (4233/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4092562 in molecule.smi (4232/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4073582 in molecule.smi (4234/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4074655 in molecule.smi (4235/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4100935 in molecule.smi (4237/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL511921 in molecule.smi (4236/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4062800 in molecule.smi (4239/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4082959 in molecule.smi (4238/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4085450 in molecule.smi (4241/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4090751 in molecule.smi (4240/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4068888 in molecule.smi (4243/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4063877 in molecule.smi (4242/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4094543 in molecule.smi (4245/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4077157 in molecule.smi (4244/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4065639 in molecule.smi (4247/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4067881 in molecule.smi (4246/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4128985 in molecule.smi (4249/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4125708 in molecule.smi (4248/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4127747 in molecule.smi (4250/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4129147 in molecule.smi (4251/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4128454 in molecule.smi (4252/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4127071 in molecule.smi (4253/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4130217 in molecule.smi (4254/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4125722 in molecule.smi (4255/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4129007 in molecule.smi (4256/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4129420 in molecule.smi (4257/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4128191 in molecule.smi (4259/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4128040 in molecule.smi (4258/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4126674 in molecule.smi (4261/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4129940 in molecule.smi (4260/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4128061 in molecule.smi (4262/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4163705 in molecule.smi (4263/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4164010 in molecule.smi (4264/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4176598 in molecule.smi (4265/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4172587 in molecule.smi (4266/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4164347 in molecule.smi (4267/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4174514 in molecule.smi (4268/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4166300 in molecule.smi (4269/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL1187434 in molecule.smi (4271/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4174269 in molecule.smi (4270/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4175159 in molecule.smi (4272/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4160912 in molecule.smi (4274/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4164525 in molecule.smi (4273/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4164315 in molecule.smi (4275/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4174963 in molecule.smi (4276/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4167757 in molecule.smi (4277/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4159837 in molecule.smi (4278/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4164387 in molecule.smi (4279/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4165897 in molecule.smi (4280/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4173815 in molecule.smi (4281/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4170372 in molecule.smi (4283/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4162452 in molecule.smi (4282/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4169326 in molecule.smi (4285/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4162043 in molecule.smi (4284/4695). Average speed: 0.25 s/mol.\n", - "Processing CHEMBL4177164 in molecule.smi (4286/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168790 in molecule.smi (4288/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160856 in molecule.smi (4287/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4167958 in molecule.smi (4289/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL469638 in molecule.smi (4290/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL586091 in molecule.smi (4291/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1172893 in molecule.smi (4292/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4172271 in molecule.smi (4293/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4163781 in molecule.smi (4295/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4172720 in molecule.smi (4294/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4175914 in molecule.smi (4297/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4165299 in molecule.smi (4296/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4172510 in molecule.smi (4299/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4161860 in molecule.smi (4298/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168710 in molecule.smi (4301/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4164186 in molecule.smi (4300/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4164524 in molecule.smi (4303/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160790 in molecule.smi (4302/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168617 in molecule.smi (4305/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173258 in molecule.smi (4304/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL462946 in molecule.smi (4307/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160694 in molecule.smi (4306/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4172401 in molecule.smi (4309/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL553245 in molecule.smi (4308/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1171719 in molecule.smi (4310/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4176125 in molecule.smi (4312/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4162070 in molecule.smi (4311/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL2314746 in molecule.smi (4314/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4165513 in molecule.smi (4313/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168934 in molecule.smi (4315/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL453019 in molecule.smi (4317/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4164418 in molecule.smi (4316/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL465678 in molecule.smi (4319/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173190 in molecule.smi (4318/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4163761 in molecule.smi (4321/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4171637 in molecule.smi (4320/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4175494 in molecule.smi (4323/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4164862 in molecule.smi (4322/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168299 in molecule.smi (4324/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160394 in molecule.smi (4325/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4165471 in molecule.smi (4326/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173389 in molecule.smi (4327/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4170793 in molecule.smi (4328/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160151 in molecule.smi (4329/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4167398 in molecule.smi (4330/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4175274 in molecule.smi (4331/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4163678 in molecule.smi (4332/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4175003 in molecule.smi (4333/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4167127 in molecule.smi (4334/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4159880 in molecule.smi (4335/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4170530 in molecule.smi (4336/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4164981 in molecule.smi (4337/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4172883 in molecule.smi (4338/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4166464 in molecule.smi (4339/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4174372 in molecule.smi (4340/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4163016 in molecule.smi (4341/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4170940 in molecule.smi (4342/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173313 in molecule.smi (4343/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4162617 in molecule.smi (4344/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4169887 in molecule.smi (4345/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4159243 in molecule.smi (4346/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173902 in molecule.smi (4347/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4165973 in molecule.smi (4348/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4165562 in molecule.smi (4349/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4176179 in molecule.smi (4350/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4162121 in molecule.smi (4351/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4172797 in molecule.smi (4352/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4172353 in molecule.smi (4353/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168987 in molecule.smi (4355/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173405 in molecule.smi (4354/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160115 in molecule.smi (4357/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4161065 in molecule.smi (4356/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168037 in molecule.smi (4358/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4166513 in molecule.smi (4360/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4177133 in molecule.smi (4359/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4169938 in molecule.smi (4362/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4162015 in molecule.smi (4361/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4159705 in molecule.smi (4364/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4170331 in molecule.smi (4363/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4163077 in molecule.smi (4366/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173784 in molecule.smi (4365/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4165327 in molecule.smi (4368/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173239 in molecule.smi (4367/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160310 in molecule.smi (4370/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4171568 in molecule.smi (4369/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4165631 in molecule.smi (4372/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168225 in molecule.smi (4371/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173562 in molecule.smi (4373/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4174452 in molecule.smi (4374/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4166141 in molecule.smi (4376/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160696 in molecule.smi (4375/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4174056 in molecule.smi (4377/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4162692 in molecule.smi (4378/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4170614 in molecule.smi (4379/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4172950 in molecule.smi (4380/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4162281 in molecule.smi (4381/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4175814 in molecule.smi (4382/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4170921 in molecule.smi (4384/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4167954 in molecule.smi (4383/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4164078 in molecule.smi (4386/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4162993 in molecule.smi (4385/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4167524 in molecule.smi (4388/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4174729 in molecule.smi (4387/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4159640 in molecule.smi (4390/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4159609 in molecule.smi (4389/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4175175 in molecule.smi (4392/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4167973 in molecule.smi (4391/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4177242 in molecule.smi (4394/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4164540 in molecule.smi (4393/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3091687 in molecule.smi (4396/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4169394 in molecule.smi (4395/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4167058 in molecule.smi (4397/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4174290 in molecule.smi (4398/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4159074 in molecule.smi (4399/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4177075 in molecule.smi (4400/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4162999 in molecule.smi (4401/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173704 in molecule.smi (4402/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4161805 in molecule.smi (4403/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4171947 in molecule.smi (4404/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4161343 in molecule.smi (4405/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4171941 in molecule.smi (4406/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4176452 in molecule.smi (4407/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168588 in molecule.smi (4408/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168198 in molecule.smi (4409/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160280 in molecule.smi (4410/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4164761 in molecule.smi (4411/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4175384 in molecule.smi (4412/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4166257 in molecule.smi (4413/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4176868 in molecule.smi (4414/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4165100 in molecule.smi (4415/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4173000 in molecule.smi (4416/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168520 in molecule.smi (4417/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4176380 in molecule.smi (4418/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4171284 in molecule.smi (4419/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4163376 in molecule.smi (4420/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4166003 in molecule.smi (4421/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4176610 in molecule.smi (4422/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4171520 in molecule.smi (4423/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4160908 in molecule.smi (4424/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4168179 in molecule.smi (4425/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4176034 in molecule.smi (4426/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4159832 in molecule.smi (4427/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4167753 in molecule.smi (4428/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4174958 in molecule.smi (4429/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4164310 in molecule.smi (4430/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4207758 in molecule.smi (4431/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4207230 in molecule.smi (4432/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4212110 in molecule.smi (4433/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4209728 in molecule.smi (4434/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4214643 in molecule.smi (4435/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4213792 in molecule.smi (4436/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4208866 in molecule.smi (4437/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4218191 in molecule.smi (4438/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4213253 in molecule.smi (4439/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205954 in molecule.smi (4440/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217663 in molecule.smi (4441/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4210316 in molecule.smi (4442/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205425 in molecule.smi (4443/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4214707 in molecule.smi (4444/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4209803 in molecule.smi (4445/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4209518 in molecule.smi (4446/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4214430 in molecule.smi (4447/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205144 in molecule.smi (4448/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4210041 in molecule.smi (4449/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4204315 in molecule.smi (4450/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4208641 in molecule.smi (4451/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4213042 in molecule.smi (4452/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217466 in molecule.smi (4453/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205764 in molecule.smi (4454/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4206041 in molecule.smi (4455/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217755 in molecule.smi (4456/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4210401 in molecule.smi (4457/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205520 in molecule.smi (4458/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4213874 in molecule.smi (4459/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4208961 in molecule.smi (4460/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4218281 in molecule.smi (4461/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4213345 in molecule.smi (4462/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205110 in molecule.smi (4463/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4216807 in molecule.smi (4464/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4218997 in molecule.smi (4465/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4208392 in molecule.smi (4466/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4207876 in molecule.smi (4467/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4214951 in molecule.smi (4468/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4212229 in molecule.smi (4469/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217212 in molecule.smi (4470/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4214755 in molecule.smi (4471/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4203538 in molecule.smi (4472/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4203653 in molecule.smi (4473/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4216806 in molecule.smi (4474/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL3891025 in molecule.smi (4475/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4202749 in molecule.smi (4476/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4218829 in molecule.smi (4477/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4207101 in molecule.smi (4478/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205651 in molecule.smi (4479/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4210517 in molecule.smi (4480/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4210020 in molecule.smi (4481/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4214932 in molecule.smi (4482/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4212275 in molecule.smi (4483/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4207386 in molecule.smi (4484/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217666 in molecule.smi (4485/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4212713 in molecule.smi (4486/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205426 in molecule.smi (4487/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217139 in molecule.smi (4488/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4208869 in molecule.smi (4489/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4203988 in molecule.smi (4490/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217746 in molecule.smi (4491/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4208322 in molecule.smi (4492/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4213147 in molecule.smi (4493/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4209420 in molecule.smi (4494/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4209795 in molecule.smi (4495/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4216066 in molecule.smi (4496/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4203672 in molecule.smi (4497/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4213591 in molecule.smi (4498/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217346 in molecule.smi (4499/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217660 in molecule.smi (4500/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4215154 in molecule.smi (4501/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4210729 in molecule.smi (4502/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4215217 in molecule.smi (4503/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4204901 in molecule.smi (4504/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4214900 in molecule.smi (4505/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4206484 in molecule.smi (4506/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4202784 in molecule.smi (4507/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4209755 in molecule.smi (4508/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4214668 in molecule.smi (4509/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205374 in molecule.smi (4510/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4210274 in molecule.smi (4511/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217617 in molecule.smi (4512/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4205910 in molecule.smi (4513/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4204913 in molecule.smi (4514/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4216601 in molecule.smi (4515/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4217126 in molecule.smi (4516/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4212151 in molecule.smi (4517/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL608112 in molecule.smi (4518/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4216666 in molecule.smi (4519/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL77510 in molecule.smi (4520/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4210949 in molecule.smi (4521/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4214417 in molecule.smi (4522/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL709 in molecule.smi (4523/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL1201217 in molecule.smi (4524/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL623 in molecule.smi (4525/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4241840 in molecule.smi (4526/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4244803 in molecule.smi (4528/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4243474 in molecule.smi (4527/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4240861 in molecule.smi (4530/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4242359 in molecule.smi (4529/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4238937 in molecule.smi (4532/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4250314 in molecule.smi (4531/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4250143 in molecule.smi (4534/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4238512 in molecule.smi (4533/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4246032 in molecule.smi (4536/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4250287 in molecule.smi (4535/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4240365 in molecule.smi (4538/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4249829 in molecule.smi (4537/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4250510 in molecule.smi (4540/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4244573 in molecule.smi (4539/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4241100 in molecule.smi (4542/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4248378 in molecule.smi (4541/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4244773 in molecule.smi (4544/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4250950 in molecule.smi (4543/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4285818 in molecule.smi (4546/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4294109 in molecule.smi (4545/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4282414 in molecule.smi (4548/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4277879 in molecule.smi (4547/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4283651 in molecule.smi (4550/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4293015 in molecule.smi (4549/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4285581 in molecule.smi (4552/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4278287 in molecule.smi (4551/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4282154 in molecule.smi (4554/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4293418 in molecule.smi (4553/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4278686 in molecule.smi (4556/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4290039 in molecule.smi (4555/4695). Average speed: 0.24 s/mol.\n", - "Processing CHEMBL4286601 in molecule.smi (4557/4695). 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Average speed: 0.24 s/mol.\n" - ], - "name": "stdout" - } - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "2p7rAVy_k_hH", - "colab_type": "code", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 170 - }, - "outputId": "fbd4553a-a474-49bd-afa2-625982aaf1a8" - }, - "source": [ - "! ls -l" - ], - "execution_count": 11, - "outputs": [ - { - "output_type": "stream", - "text": [ - "total 34032\n", - "-rw-r--r-- 1 root root 385924 Jun 9 14:28 acetylcholinesterase_03_bioactivity_data_curated.csv\n", - "-rw-r--r-- 1 root root 8356701 Jun 9 14:49 descriptors_output.csv\n", - "drwxr-xr-x 3 root root 4096 Jun 9 14:27 __MACOSX\n", - "-rw-r--r-- 1 root root 310658 Jun 9 14:29 molecule.smi\n", - "drwxrwxr-x 4 root root 4096 May 30 10:10 PaDEL-Descriptor\n", - "-rw-r--r-- 1 root root 231 Jun 9 14:27 padel.sh\n", - "-rw-r--r-- 1 root root 25768637 Jun 9 14:27 padel.zip\n", - "drwxr-xr-x 1 root root 4096 May 29 18:19 sample_data\n" - ], - "name": "stdout" - } - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "gUMlPfFrxicj", - "colab_type": "text" - }, - "source": [ - "## **Preparing the X and Y Data Matrices**" - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "30aa4WP4ZA8M", - "colab_type": "text" - }, - "source": [ - "### **X data matrix**" - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "3g319qxVl7tY", - "colab_type": "code", - "colab": {} - }, - "source": [ - "df3_X = pd.read_csv('descriptors_output.csv')" - ], - "execution_count": 0, - "outputs": [] - }, - { - "cell_type": "code", - "metadata": { - "id": "hBp1PTObFQDd", - "colab_type": "code", - "outputId": "70f5dbde-55dc-446f-90e0-6057dcf0ad20", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 439 - } - }, - "source": [ - "df3_X" - ], - "execution_count": 13, - "outputs": [ - { - "output_type": "execute_result", - "data": { - "text/html": [ - "
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" - ], - "text/plain": [ - " PubchemFP0 PubchemFP1 ... PubchemFP879 PubchemFP880\n", - "0 1 1 ... 0 0\n", - "1 1 1 ... 0 0\n", - "2 1 1 ... 0 0\n", - "3 1 1 ... 0 0\n", - "4 1 1 ... 0 0\n", - "... ... ... ... ... ...\n", - "4690 1 1 ... 0 0\n", - "4691 1 1 ... 0 0\n", - "4692 1 1 ... 0 0\n", - "4693 1 1 ... 0 0\n", - "4694 1 1 ... 0 0\n", - "\n", - "[4695 rows x 881 columns]" - ] - }, - "metadata": { - "tags": [] - }, - "execution_count": 14 - } - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "6ePu814KZNBG", - "colab_type": "text" - }, - "source": [ - "## **Y variable**" - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "9ssfxFCdr7ua", - "colab_type": "text" - }, - "source": [ - "### **Convert IC50 to pIC50**" - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "FlhsSEW5FXTG", - "colab_type": "code", - "outputId": "635522b9-62f9-4546-cfdf-6aa66d4094ad", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 221 - } - }, - "source": [ - "df3_Y = df3['pIC50']\n", - "df3_Y" - ], - "execution_count": 31, - "outputs": [ - { - "output_type": "execute_result", - "data": { - "text/plain": [ - "0 6.124939\n", - "1 7.000000\n", - "2 4.301030\n", - "3 6.522879\n", - "4 6.096910\n", - " ... \n", - "4690 5.612610\n", - "4691 5.595166\n", - "4692 5.419075\n", - "4693 5.460924\n", - "4694 5.555955\n", - "Name: pIC50, Length: 4695, dtype: float64" - ] - }, - "metadata": { - "tags": [] - }, - "execution_count": 31 - } - ] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "eET6iZ1Aw3oe", - "colab_type": "text" - }, - "source": [ - "## **Combining X and Y variable**" - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "FRBfBP3QxFJp", - "colab_type": "code", - "outputId": "2a6a3dba-ff09-4cd4-84db-885164ac817e", - "colab": { - "base_uri": "https://localhost:8080/", - "height": 439 - } - }, - "source": [ - "dataset3 = pd.concat([df3_X,df3_Y], axis=1)\n", - "dataset3" - ], - "execution_count": 32, - "outputs": [ - { - "output_type": "execute_result", - "data": { - "text/html": [ - "
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" - ], - "text/plain": [ - " PubchemFP0 PubchemFP1 PubchemFP2 ... PubchemFP879 PubchemFP880 pIC50\n", - "0 1 1 1 ... 0 0 6.124939\n", - "1 1 1 1 ... 0 0 7.000000\n", - "2 1 1 1 ... 0 0 4.301030\n", - "3 1 1 0 ... 0 0 6.522879\n", - "4 1 1 0 ... 0 0 6.096910\n", - "... ... ... ... ... ... ... ...\n", - "4690 1 1 1 ... 0 0 5.612610\n", - "4691 1 1 1 ... 0 0 5.595166\n", - "4692 1 1 1 ... 0 0 5.419075\n", - "4693 1 1 1 ... 0 0 5.460924\n", - "4694 1 1 1 ... 0 0 5.555955\n", - "\n", - "[4695 rows x 882 columns]" - ] - }, - "metadata": { - "tags": [] - }, - "execution_count": 32 - } - ] - }, - { - "cell_type": "code", - "metadata": { - "id": "75npGyvhae0e", - "colab_type": "code", - "colab": {} - }, - "source": [ - "dataset3.to_csv('acetylcholinesterase_06_bioactivity_data_3class_pIC50_aromatase_pubchem_fp.csv', index=False)" - ], - "execution_count": 0, - "outputs": [] - }, - { - "cell_type": "markdown", - "metadata": { - "id": "nFpLoNRHeRa6", - "colab_type": "text" - }, - "source": [ - "# **Let's download the CSV file to your local computer for the Part 3B (Model Building).**" - ] - } - ] -} \ No newline at end of file